 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_wB97XD_def2SVPD.in
 Output=12_L-valine_conformer06_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-191685.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    191688.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer06_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:27:32 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:27:32 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Thu Aug 12 22:27:32 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0119493561 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.7431076457 Hartrees.
 Leave Link  301 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.78D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.985234855798    
 DIIS: error= 3.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.985234855798     IErMin= 1 ErrMin= 3.62D-03
 ErrMax= 3.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-02 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 GapD=    0.400 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.64D-03 MaxDP=2.65D-01              OVMax= 1.43D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.63D-03    CP:  1.02D+00
 E= -401.994254874314     Delta-E=       -0.009020018516 Rises=F Damp=F
 DIIS: error= 9.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.994254874314     IErMin= 2 ErrMin= 9.92D-04
 ErrMax= 9.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-04 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.92D-03
 Coeff-Com: -0.712D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.705D-02 0.101D+01
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=6.99D-04 MaxDP=2.73D-02 DE=-9.02D-03 OVMax= 6.27D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.95D-04    CP:  1.02D+00  1.12D+00
 E= -401.994573212849     Delta-E=       -0.000318338535 Rises=F Damp=F
 DIIS: error= 7.96D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.994573212849     IErMin= 3 ErrMin= 7.96D-04
 ErrMax= 7.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-04 BMatP= 3.83D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.96D-03
 Coeff-Com: -0.475D-01 0.475D+00 0.572D+00
 Coeff-En:   0.000D+00 0.257D-01 0.974D+00
 Coeff:     -0.471D-01 0.471D+00 0.576D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=1.73D-04 MaxDP=1.17D-02 DE=-3.18D-04 OVMax= 2.17D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.09D-04    CP:  1.02D+00  1.15D+00  1.08D+00
 E= -401.994773378986     Delta-E=       -0.000200166138 Rises=F Damp=F
 DIIS: error= 1.73D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.994773378986     IErMin= 4 ErrMin= 1.73D-04
 ErrMax= 1.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.25D-06 BMatP= 2.90D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.73D-03
 Coeff-Com: -0.133D-01 0.725D-01 0.147D+00 0.794D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.133D-01 0.724D-01 0.147D+00 0.794D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=5.79D-05 MaxDP=3.63D-03 DE=-2.00D-04 OVMax= 8.71D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.04D-05    CP:  1.02D+00  1.16D+00  1.16D+00  1.19D+00
 E= -401.994780215253     Delta-E=       -0.000006836267 Rises=F Damp=F
 DIIS: error= 8.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.994780215253     IErMin= 5 ErrMin= 8.83D-05
 ErrMax= 8.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-06 BMatP= 7.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.184D-02-0.395D-01-0.368D-01 0.305D+00 0.770D+00
 Coeff:      0.184D-02-0.395D-01-0.368D-01 0.305D+00 0.770D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=2.44D-05 MaxDP=1.91D-03 DE=-6.84D-06 OVMax= 3.49D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.29D-05    CP:  1.02D+00  1.16D+00  1.19D+00  1.28D+00  1.07D+00
 E= -401.994781876184     Delta-E=       -0.000001660931 Rises=F Damp=F
 DIIS: error= 1.63D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.994781876184     IErMin= 6 ErrMin= 1.63D-05
 ErrMax= 1.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.78D-08 BMatP= 1.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-02-0.184D-01-0.199D-01 0.844D-01 0.292D+00 0.660D+00
 Coeff:      0.127D-02-0.184D-01-0.199D-01 0.844D-01 0.292D+00 0.660D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=6.19D-06 MaxDP=6.66D-04 DE=-1.66D-06 OVMax= 1.11D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.05D-06    CP:  1.02D+00  1.16D+00  1.20D+00  1.31D+00  1.13D+00
                    CP:  1.20D+00
 E= -401.994781963597     Delta-E=       -0.000000087413 Rises=F Damp=F
 DIIS: error= 8.67D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.994781963597     IErMin= 7 ErrMin= 8.67D-06
 ErrMax= 8.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-08 BMatP= 9.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-03-0.159D-02-0.244D-02-0.161D-01-0.206D-02 0.326D+00
 Coeff-Com:  0.696D+00
 Coeff:      0.260D-03-0.159D-02-0.244D-02-0.161D-01-0.206D-02 0.326D+00
 Coeff:      0.696D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=3.38D-06 MaxDP=4.37D-04 DE=-8.74D-08 OVMax= 6.37D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.02D+00  1.16D+00  1.20D+00  1.32D+00  1.17D+00
                    CP:  1.35D+00  1.25D+00
 E= -401.994781990563     Delta-E=       -0.000000026966 Rises=F Damp=F
 DIIS: error= 2.83D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.994781990563     IErMin= 8 ErrMin= 2.83D-06
 ErrMax= 2.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-09 BMatP= 2.45D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.942D-04 0.228D-02 0.233D-02-0.193D-01-0.467D-01 0.230D-02
 Coeff-Com:  0.257D+00 0.802D+00
 Coeff:     -0.942D-04 0.228D-02 0.233D-02-0.193D-01-0.467D-01 0.230D-02
 Coeff:      0.257D+00 0.802D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.86D-06 MaxDP=2.59D-04 DE=-2.70D-08 OVMax= 3.33D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.74D-07    CP:  1.02D+00  1.16D+00  1.20D+00  1.33D+00  1.19D+00
                    CP:  1.44D+00  1.41D+00  1.30D+00
 E= -401.994781994086     Delta-E=       -0.000000003523 Rises=F Damp=F
 DIIS: error= 6.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.994781994086     IErMin= 9 ErrMin= 6.21D-07
 ErrMax= 6.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-10 BMatP= 2.59D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.553D-04 0.901D-03 0.981D-03-0.508D-02-0.153D-01-0.343D-01
 Coeff-Com:  0.241D-01 0.268D+00 0.761D+00
 Coeff:     -0.553D-04 0.901D-03 0.981D-03-0.508D-02-0.153D-01-0.343D-01
 Coeff:      0.241D-01 0.268D+00 0.761D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=7.39D-07 MaxDP=1.07D-04 DE=-3.52D-09 OVMax= 1.07D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.66D-07    CP:  1.02D+00  1.16D+00  1.20D+00  1.33D+00  1.20D+00
                    CP:  1.47D+00  1.50D+00  1.46D+00  1.25D+00
 E= -401.994781994422     Delta-E=       -0.000000000336 Rises=F Damp=F
 DIIS: error= 1.73D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.994781994422     IErMin=10 ErrMin= 1.73D-07
 ErrMax= 1.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-11 BMatP= 2.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.365D-05-0.460D-04-0.502D-04 0.113D-02 0.216D-02-0.840D-02
 Coeff-Com: -0.235D-01-0.404D-01 0.172D+00 0.897D+00
 Coeff:     -0.365D-05-0.460D-04-0.502D-04 0.113D-02 0.216D-02-0.840D-02
 Coeff:     -0.235D-01-0.404D-01 0.172D+00 0.897D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=2.23D-07 MaxDP=3.09D-05 DE=-3.36D-10 OVMax= 4.42D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.58D-08    CP:  1.02D+00  1.16D+00  1.20D+00  1.33D+00  1.20D+00
                    CP:  1.48D+00  1.52D+00  1.53D+00  1.38D+00  1.20D+00
 E= -401.994781994453     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 5.31D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.994781994453     IErMin=11 ErrMin= 5.31D-08
 ErrMax= 5.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-12 BMatP= 1.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.488D-05-0.110D-03-0.124D-03 0.882D-03 0.232D-02 0.109D-02
 Coeff-Com: -0.945D-02-0.402D-01-0.242D-01 0.269D+00 0.801D+00
 Coeff:      0.488D-05-0.110D-03-0.124D-03 0.882D-03 0.232D-02 0.109D-02
 Coeff:     -0.945D-02-0.402D-01-0.242D-01 0.269D+00 0.801D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=7.18D-08 MaxDP=9.73D-06 DE=-3.10D-11 OVMax= 1.20D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.61D-08    CP:  1.02D+00  1.16D+00  1.20D+00  1.33D+00  1.20D+00
                    CP:  1.48D+00  1.53D+00  1.54D+00  1.43D+00  1.32D+00
                    CP:  1.23D+00
 E= -401.994781994476     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 1.59D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.994781994476     IErMin=12 ErrMin= 1.59D-08
 ErrMax= 1.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-13 BMatP= 2.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-05-0.260D-04-0.288D-04 0.131D-03 0.424D-03 0.105D-02
 Coeff-Com: -0.293D-03-0.690D-02-0.238D-01-0.180D-01 0.217D+00 0.830D+00
 Coeff:      0.165D-05-0.260D-04-0.288D-04 0.131D-03 0.424D-03 0.105D-02
 Coeff:     -0.293D-03-0.690D-02-0.238D-01-0.180D-01 0.217D+00 0.830D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.42D-08 MaxDP=1.23D-06 DE=-2.24D-11 OVMax= 4.57D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.06D-09    CP:  1.02D+00  1.16D+00  1.20D+00  1.33D+00  1.20D+00
                    CP:  1.48D+00  1.53D+00  1.55D+00  1.43D+00  1.35D+00
                    CP:  1.37D+00  1.20D+00
 E= -401.994781994474     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 4.60D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.994781994476     IErMin=13 ErrMin= 4.60D-09
 ErrMax= 4.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-14 BMatP= 2.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.280D-06 0.882D-05 0.101D-04-0.844D-04-0.207D-03 0.289D-04
 Coeff-Com:  0.114D-02 0.382D-02-0.928D-03-0.367D-01-0.712D-01 0.160D+00
 Coeff-Com:  0.944D+00
 Coeff:     -0.280D-06 0.882D-05 0.101D-04-0.844D-04-0.207D-03 0.289D-04
 Coeff:      0.114D-02 0.382D-02-0.928D-03-0.367D-01-0.712D-01 0.160D+00
 Coeff:      0.944D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=5.29D-09 MaxDP=3.02D-07 DE= 2.16D-12 OVMax= 1.83D-07

 SCF Done:  E(RwB97XD) =  -401.994781994     A.U. after   13 cycles
            NFock= 13  Conv=0.53D-08     -V/T= 2.0105
 KE= 3.977983699722D+02 PE=-1.752219347849D+03 EE= 5.446830882370D+02
 Leave Link  502 at Thu Aug 12 22:28:27 2021, MaxMem=  5368709120 cpu:             423.5 elap:              53.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.32648049D+02

 Leave Link  801 at Thu Aug 12 22:28:27 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.79D-01 5.13D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.04D-02 3.08D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.83D-03 9.85D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 1.20D-04 1.91D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.44D-06 2.95D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 9.21D-08 5.31D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.00D-09 7.12D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 3.52D-11 8.78D-07.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 5.47D-13 1.02D-07.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 8.64D-15 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.86D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.860775D+02
      2  0.839367D+00  0.754602D+02
      3 -0.216578D+01  0.192904D+01  0.730434D+02
 Isotropic polarizability for W=    0.088559       78.19 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.688712D+02 -0.178463D+02  0.431477D+01
      2  -0.383022D+02  0.193694D+02 -0.103443D+02
      3  -0.305690D+02 -0.152315D+01  0.602954D+01
      4  -0.220975D+02  0.386620D+02 -0.183103D+02
      5   0.101009D+02 -0.211883D+02  0.617774D+02
      6  -0.516036D+01  0.720545D+00 -0.924020D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.484004D+00 -0.116371D+01  0.146966D+01
      2   0.557411D+01 -0.706261D+01  0.327086D+02
      3   0.510103D+01 -0.249005D+02  0.785996D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.287803D+01  0.110649D+02  0.771704D+01
      2  -0.578615D+01 -0.131500D+02  0.923463D+02
      3  -0.425127D+01 -0.769642D+02  0.160280D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.320833D+00 -0.442763D+00 -0.120945D+01
      2  -0.442763D+00  0.400488D+00 -0.292595D-01
      3  -0.120945D+01 -0.292595D-01  0.233689D+00
 OR G Eigenvalues:    -1.3609     0.3992     1.2751  Iso=    -0.1044
 Eigenvectors:
   (1)   0.777944   0.205414   0.593809
   (2)   0.026331   0.933565  -0.357440
   (3)  -0.627782   0.293704   0.720852
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1044 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -45.21 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.04D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.43D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.16D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.89D-02 3.72D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.39D-03 4.56D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.00D-05 7.04D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.34D-07 8.66D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 3.12D-09 6.40D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.42D-11 6.34D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 1.65D-13 4.61D-08.
      1 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 1.05D-15 4.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.85D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.85D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.42D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.860775D+02  0.839367D+00 -0.216578D+01
      2   0.839367D+00  0.754602D+02  0.192904D+01
      3  -0.216578D+01  0.192904D+01  0.730434D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.484004D+00 -0.116371D+01  0.146966D+01
      2   0.557411D+01 -0.706261D+01  0.327086D+02
      3   0.510103D+01 -0.249005D+02  0.785996D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.688712D+02 -0.178463D+02  0.431477D+01
      2  -0.383022D+02  0.193694D+02 -0.103443D+02
      3  -0.305690D+02 -0.152315D+01  0.602954D+01
      4  -0.220975D+02  0.386620D+02 -0.183103D+02
      5   0.101009D+02 -0.211883D+02  0.617774D+02
      6  -0.516036D+01  0.720545D+00 -0.924020D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.156962D+00  0.285583D+01 -0.327848D+01  0.428233D+01 -0.342353D+01
      2   0.285583D+01 -0.280750D+01  0.125141D+00 -0.342353D+01 -0.314050D+01
      3  -0.327848D+01  0.125141D+00  0.651816D+00  0.524020D-01 -0.199030D+01
                 6             7             8             9            10 
      1   0.524020D-01 -0.428814D+01  0.411644D+00 -0.521328D+00  0.191570D+01
      2  -0.199030D+01  0.411644D+00 -0.199025D+01  0.231252D+00 -0.241798D+01
      3   0.554664D+00 -0.521328D+00  0.231252D+00  0.710076D+01  0.381469D+01
                11            12            13            14            15 
      1  -0.241798D+01  0.381469D+01 -0.592550D+01  0.274694D+01  0.683272D-01
      2   0.301891D+01  0.237299D+00  0.274694D+01  0.409938D+01  0.259618D+01
      3   0.237299D+00 -0.378229D+00  0.683272D-01  0.259618D+01  0.591590D+00
                16            17            18            19            20 
      1   0.540796D+01  0.110841D+00  0.203181D+00 -0.325206D+01  0.322752D+01
      2   0.110841D+00  0.260912D+01  0.107440D+01  0.322752D+01 -0.903753D+00
      3   0.203181D+00  0.107440D+01 -0.513235D+01 -0.223557D+01  0.124075D+00
                21            22            23            24            25 
      1  -0.223557D+01  0.619597D+01 -0.333796D+00  0.149816D+00 -0.205112D+01
      2   0.124075D+00 -0.333796D+00 -0.106370D+01 -0.113600D+01  0.424249D+00
      3  -0.530667D+00  0.149816D+00 -0.113600D+01  0.110187D+01 -0.950841D+00
                26            27            28            29            30 
      1   0.424249D+00 -0.950841D+00 -0.684057D+00 -0.133795D+01  0.119438D+01
      2  -0.969448D+00  0.654425D-01 -0.133795D+01  0.871804D+00  0.155917D+01
      3   0.654425D-01  0.601054D+01  0.119438D+01  0.155917D+01  0.688356D+00
                31            32            33            34            35 
      1   0.258779D+01  0.119630D+01  0.143173D+01  0.132561D+01  0.205347D+01
      2   0.119630D+01  0.301302D+01  0.170308D+01  0.205347D+01  0.198939D+01
      3   0.143173D+01  0.170308D+01  0.943768D+00  0.592140D+00  0.105762D+00
                36            37            38            39            40 
      1   0.592140D+00  0.425405D+01  0.290870D+01 -0.806155D+00  0.469775D+01
      2   0.105762D+00  0.290870D+01  0.600605D-01 -0.765920D+00 -0.770314D+00
      3  -0.454740D-01 -0.806155D+00 -0.765920D+00  0.554625D+00 -0.156370D+01
                41            42            43            44            45 
      1  -0.770314D+00 -0.156370D+01  0.374745D+00 -0.116255D+01 -0.672896D+00
      2   0.308611D+01  0.773103D+00 -0.116255D+01  0.498100D+00  0.131169D+01
      3   0.773103D+00  0.155066D+01 -0.672896D+00  0.131169D+01  0.274272D+01
                46            47            48            49            50 
      1   0.140240D+01  0.334747D+01 -0.421861D+01  0.353998D+01 -0.309481D+01
      2   0.334747D+01 -0.293337D+01  0.106053D+00 -0.309481D+01 -0.182384D+01
      3  -0.421861D+01  0.106053D+00  0.375044D+00  0.904906D-01 -0.349878D+01
                51            52            53            54            55 
      1   0.904906D-01 -0.346409D+01 -0.119157D+00  0.281416D+00  0.309783D+01
      2  -0.349878D+01 -0.119157D+00 -0.284390D+01 -0.615151D+00 -0.132008D+01
      3   0.115076D+00  0.281416D+00 -0.615151D+00  0.359140D+01  0.106343D+01
                56            57            58            59            60 
      1  -0.132008D+01  0.106343D+01 -0.101589D+01  0.295071D+01 -0.711565D+00
      2   0.424997D+01 -0.761992D+00  0.295071D+01  0.224864D+01  0.108186D+01
      3  -0.761992D+00  0.205000D+01 -0.711565D+00  0.108186D+01 -0.103343D+01
                61            62            63            64            65 
      1   0.134223D+01 -0.990650D+00  0.208659D+01 -0.348152D+01 -0.302690D+01
      2  -0.990650D+00  0.111876D+01 -0.797337D+00 -0.302690D+01 -0.260396D+01
      3   0.208659D+01 -0.797337D+00 -0.343543D+01 -0.184968D+01 -0.127146D+01
                66            67            68            69            70 
      1  -0.184968D+01 -0.593669D+01 -0.308010D+01 -0.102765D+01 -0.278309D+01
      2  -0.127146D+01 -0.308010D+01 -0.931790D+01 -0.272311D+01 -0.129572D+01
      3  -0.135280D+01 -0.102765D+01 -0.272311D+01 -0.286205D+01 -0.178125D+01
                71            72            73            74            75 
      1  -0.129572D+01 -0.178125D+01  0.630868D+00 -0.400366D+00 -0.883519D+00
      2  -0.257665D+01 -0.279741D+01 -0.400366D+00  0.229904D+00 -0.105555D+00
      3  -0.279741D+01 -0.377522D+01 -0.883519D+00 -0.105555D+00  0.298406D+00
                76            77            78            79            80 
      1  -0.112152D+01  0.160538D+00  0.673828D-02 -0.153820D+01 -0.126385D+00
      2   0.160538D+00  0.515231D+00 -0.103916D+01 -0.126385D+00 -0.142782D+01
      3   0.673828D-02 -0.103916D+01 -0.283321D-01  0.209166D+00  0.504796D+00
                81            82            83            84            85 
      1   0.209166D+00 -0.119425D+01 -0.751179D+00 -0.945617D+00 -0.112408D+01
      2   0.504796D+00 -0.751179D+00 -0.974621D+00 -0.355045D-01 -0.855044D+00
      3  -0.826537D+01 -0.945617D+00 -0.355045D-01 -0.261358D+00 -0.606055D-01
                86            87            88            89            90 
      1  -0.855044D+00 -0.606055D-01 -0.138352D+01 -0.896900D-01 -0.126737D+00
      2  -0.675430D+01 -0.161513D+01 -0.896900D-01 -0.163958D+01 -0.150691D+01
      3  -0.161513D+01 -0.180179D+01 -0.126737D+00 -0.150691D+01 -0.625651D+00
                91            92            93            94            95 
      1  -0.837441D+01 -0.929150D+00  0.247495D+01 -0.368815D+01 -0.141761D+01
      2  -0.929150D+00 -0.133823D+01  0.144650D+00 -0.141761D+01 -0.638113D+00
      3   0.247495D+01  0.144650D+00 -0.175769D+01  0.125838D+01  0.523910D+00
                96            97            98            99           100 
      1   0.125838D+01  0.161397D+01  0.245636D+00 -0.130774D+01 -0.176395D+01
      2   0.523910D+00  0.245636D+00  0.476545D+00 -0.802484D-01  0.237440D+01
      3  -0.819018D+00 -0.130774D+01 -0.802484D-01  0.124223D+01 -0.103832D+01
               101           102           103           104           105 
      1   0.237440D+01 -0.103832D+01  0.211147D+01 -0.259551D+01  0.860998D+00
      2  -0.321719D+01  0.108361D+01 -0.259551D+01  0.498005D+01 -0.147524D+01
      3   0.108361D+01 -0.102655D+01  0.860998D+00 -0.147524D+01  0.127230D+01
               106           107           108           109           110 
      1  -0.163426D+01  0.137324D+01 -0.115058D+01 -0.144259D+00  0.464987D+00
      2   0.137324D+01 -0.249402D+01  0.160287D+01  0.464987D+00 -0.290744D+00
      3  -0.115058D+01  0.160287D+01 -0.143236D+01  0.300135D+00 -0.307890D+00
               111           112           113           114           115 
      1   0.300135D+00  0.348817D+00 -0.191174D+00 -0.298984D+00  0.974590D+00
      2  -0.307890D+00 -0.191174D+00  0.104049D+01  0.880669D+00 -0.508228D+00
      3  -0.702245D+00 -0.298984D+00  0.880669D+00  0.853336D+00 -0.659849D+00
               116           117           118           119           120 
      1  -0.508228D+00 -0.659849D+00  0.904540D+00  0.639986D+00  0.112504D+01
      2   0.208562D+01  0.146860D+01  0.639986D+00  0.124441D+01  0.512306D+00
      3   0.146860D+01  0.519488D+01  0.112504D+01  0.512306D+00  0.994693D+00
               121           122           123           124           125 
      1   0.133921D+01  0.114794D+01  0.830708D+00  0.943855D+00  0.408969D+00
      2   0.114794D+01  0.459921D+01  0.215244D+01  0.408969D+00  0.171090D+01
      3   0.830708D+00  0.215244D+01  0.307819D+01  0.570065D+00  0.153053D+01
               126           127           128           129           130 
      1   0.570065D+00 -0.537142D+01 -0.131222D+01  0.231262D+01 -0.128524D+01
      2   0.153053D+01 -0.131222D+01 -0.112428D+01  0.914791D+00 -0.631686D+00
      3   0.195442D+01  0.231262D+01  0.914791D+00 -0.326555D+01  0.575880D+00
               131           132           133           134           135 
      1  -0.631686D+00  0.575880D+00  0.174120D+01  0.533055D+00 -0.184871D+01
      2  -0.901635D+00  0.120922D+01  0.533055D+00  0.943223D+00 -0.711412D+00
      3   0.120922D+01 -0.106307D+01 -0.184871D+01 -0.711412D+00  0.234248D+01
               136           137           138           139           140 
      1   0.385416D+01 -0.252483D+01  0.232868D+01 -0.281364D+01  0.250270D+01
      2  -0.252483D+01  0.255002D+01 -0.133177D+01  0.250270D+01 -0.339877D+01
      3   0.232868D+01 -0.133177D+01  0.226852D+01 -0.133358D+01  0.221382D+01
               141           142           143           144           145 
      1  -0.133358D+01  0.140815D+01 -0.890751D+00  0.146424D+01  0.123373D+01
      2   0.221382D+01 -0.890751D+00  0.150558D+01 -0.136170D+01  0.127180D+01
      3  -0.222485D+01  0.146424D+01 -0.136170D+01  0.174783D+01  0.477050D+00
               146           147           148           149           150 
      1   0.127180D+01  0.477050D+00  0.297446D+01  0.222648D+01 -0.145971D+00
      2   0.154537D+01  0.679204D-01  0.222648D+01  0.571043D+01  0.576741D+00
      3   0.679204D-01  0.263445D+00 -0.145971D+00  0.576741D+00  0.133597D+01
               151           152           153           154           155 
      1   0.127819D+01  0.309856D+00  0.482824D+00  0.662711D+01 -0.281328D+01
      2   0.309856D+00  0.113869D+01  0.803379D+00 -0.281328D+01  0.220935D+01
      3   0.482824D+00  0.803379D+00 -0.841697D-01  0.913686D+00 -0.339446D+00
               156           157           158           159           160 
      1   0.913686D+00 -0.461867D+01  0.282880D+01 -0.247564D+00  0.275462D+01
      2  -0.339446D+00  0.282880D+01 -0.239586D+01  0.624767D+00 -0.723986D+00
      3   0.101363D+01 -0.247564D+00  0.624767D+00 -0.114225D+01  0.111167D+01
               161           162           163           164           165 
      1  -0.723986D+00  0.111167D+01  0.188604D+00 -0.256771D+00 -0.748705D+00
      2   0.975336D+00 -0.730481D+00 -0.256771D+00  0.213851D+00  0.445277D-01
      3  -0.730481D+00  0.257480D+00 -0.748705D+00  0.445277D-01  0.116565D+00
               166           167           168           169           170 
      1  -0.548401D+00  0.633166D+00  0.641479D-01 -0.202270D+01  0.361606D-01
      2   0.633166D+00  0.142076D+00 -0.858069D+00  0.361606D-01 -0.110961D+01
      3   0.641479D-01 -0.858069D+00 -0.422641D+00  0.201863D+01 -0.980672D-01
               171 
      1   0.201863D+01
      2  -0.980672D-01
      3  -0.938872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.268001D+01  0.224399D+01  0.954091D-01  0.324357D+01  0.214365D+01
      2  -0.890404D+01  0.281488D+01  0.463463D+00  0.376812D+01 -0.826844D+01
      3  -0.764787D+01  0.548458D+01  0.515803D+00  0.127688D+02  0.104789D+02
                 6             7             8             9            10 
      1  -0.480991D+00  0.689292D+00  0.314943D+01 -0.352579D+00  0.334170D+01
      2   0.129597D+01 -0.868644D+01  0.840977D+00  0.204201D+02  0.760125D+01
      3   0.461944D+01 -0.110316D+01  0.571465D+01 -0.111955D+01  0.320681D+01
                11            12            13            14            15 
      1  -0.555158D+00  0.147803D+00 -0.754948D+00  0.315343D+01 -0.422660D+01
      2  -0.851899D+00  0.432111D+01 -0.414725D+01  0.343319D+01  0.206688D+00
      3  -0.400357D+01 -0.120955D+01  0.157249D+01 -0.890129D+01 -0.408570D+01
                16            17            18            19            20 
      1  -0.386532D+00  0.234490D+01 -0.281364D+01 -0.384459D+01  0.325126D+00
      2  -0.241828D+01  0.122100D+01 -0.518715D+01 -0.677981D+00  0.579239D+00
      3  -0.731756D+00 -0.338249D+01 -0.248959D+00 -0.188059D-01 -0.486317D+01
                21            22            23            24            25 
      1  -0.109950D+01 -0.804730D+00  0.102245D+01  0.192980D+01 -0.553737D+00
      2   0.725836D+00  0.676273D+01 -0.640731D+00  0.135590D+01 -0.644346D+01
      3   0.138147D+01  0.165859D+01  0.563675D+00  0.275109D+01 -0.858411D+00
                26            27            28            29            30 
      1   0.510433D+01 -0.180540D+01  0.884873D+00  0.192583D+00  0.219331D+01
      2  -0.162042D+00 -0.259877D+01 -0.894871D+01 -0.430784D+00 -0.311047D+01
      3   0.161188D+01 -0.148572D+00 -0.568943D+01  0.199400D+01 -0.172875D+01
                31            32            33            34            35 
      1   0.233127D+01 -0.652422D+01  0.109111D+01 -0.199491D+01  0.201059D+01
      2   0.912242D+01 -0.856680D+00 -0.496319D+01 -0.113537D+02 -0.306075D+01
      3   0.460165D+01  0.100671D+02 -0.760561D-01 -0.551475D+01 -0.245946D+01
                36            37            38            39            40 
      1   0.818113D+01  0.917000D+00 -0.822852D-01  0.143497D+01  0.183514D+01
      2   0.368527D+01  0.129587D+01  0.416837D-01  0.219593D+01 -0.728422D+00
      3   0.179473D+01  0.551436D+01 -0.170388D+01 -0.939237D+00  0.448053D+01
                41            42            43            44            45 
      1   0.252414D+01 -0.269082D+01  0.107050D+01  0.343691D+01 -0.175211D+01
      2  -0.329530D+01 -0.320240D+01 -0.120567D+01 -0.294038D+01 -0.722010D+01
      3   0.864499D+01  0.139660D+01  0.223744D+01  0.258317D+01  0.194174D+01
                46            47            48            49            50 
      1   0.336684D+01 -0.558585D+01  0.674382D+00 -0.574477D+01 -0.578644D+01
      2  -0.982544D+01 -0.650791D+01  0.121391D+02 -0.492953D+01  0.729487D+00
      3  -0.590841D+01 -0.257711D+00  0.253212D+01  0.378264D+01  0.481845D+01
                51            52            53            54            55 
      1  -0.105503D+02 -0.339834D-01 -0.434000D+01  0.259917D+01 -0.150965D+01
      2  -0.266471D+00  0.540477D+01 -0.514378D+00  0.321658D+01  0.954513D+00
      3   0.449528D+01  0.235660D+01  0.360519D+01  0.478575D+00  0.762304D+01
                56            57            58            59            60 
      1   0.122375D+01 -0.583864D+01  0.109927D+01 -0.461167D+01 -0.323596D+01
      2   0.129688D+01  0.449482D+01 -0.142419D+01  0.298236D+00  0.135712D-01
      3  -0.995664D+01  0.138431D+01  0.313571D+01  0.690618D+01 -0.290588D+01
                61            62            63            64            65 
      1  -0.403037D+01  0.686140D+01  0.867427D+01  0.157154D+01  0.270101D+01
      2  -0.997967D+00  0.267100D+00 -0.619418D+00  0.701461D+00  0.391583D+00
      3   0.268268D+01 -0.219919D+01  0.521783D+01  0.131897D+01 -0.550528D+01
                66            67            68            69            70 
      1  -0.333927D+01  0.285415D+00  0.514057D+01 -0.744370D+01  0.885680D+00
      2   0.580314D+01 -0.857429D+01  0.257393D+01  0.622789D+01 -0.369901D+00
      3  -0.778154D+00  0.449870D+01 -0.157871D+02 -0.326788D+01  0.108553D+01
                71            72            73            74            75 
      1   0.373005D+01 -0.328296D+01  0.781815D+00 -0.288270D+00  0.167223D-01
      2   0.551153D+01  0.438212D+01  0.110389D+01 -0.239352D+00  0.576567D-01
      3  -0.228694D+01 -0.456830D+01  0.100450D+01 -0.417525D+00 -0.693090D+00
                76            77            78            79            80 
      1  -0.691861D-01 -0.632881D+00 -0.187531D+00  0.800860D-01  0.339223D+01
      2  -0.833985D+00  0.460523D+00  0.149262D-01 -0.375199D+01  0.131376D-01
      3   0.113662D+01  0.715599D-01 -0.485307D+00 -0.466047D+00 -0.469339D+00
                81            82            83            84            85 
      1   0.176621D+01 -0.130198D+01  0.121143D+00 -0.560286D+00 -0.164553D+00
      2   0.812553D+00 -0.201829D+01 -0.292545D+00 -0.355493D-02 -0.866999D+00
      3   0.122157D+00  0.323517D+01  0.112583D+01  0.965743D+00  0.525942D+01
                86            87            88            89            90 
      1   0.117797D+00 -0.355357D+01 -0.222711D+00  0.258436D+00 -0.530535D+00
      2  -0.177537D+01 -0.172378D+01 -0.217897D+01 -0.164094D+01 -0.660183D+00
      3   0.824260D+01  0.218644D+01  0.206478D+01  0.203843D+01  0.196875D+01
                91            92            93            94            95 
      1  -0.172765D+01 -0.139706D+01  0.325301D+00 -0.735549D+00 -0.105813D+01
      2  -0.102008D+01  0.464391D+00  0.425471D+01 -0.111517D+01 -0.487542D+00
      3  -0.440369D+01 -0.476857D+01  0.132393D+01 -0.275655D+01 -0.315124D+01
                96            97            98            99           100 
      1  -0.250057D+00  0.802988D+00  0.560612D+00 -0.444450D+00  0.145522D+01
      2   0.222784D+01  0.830898D+00  0.394343D+00 -0.176648D+01 -0.114276D+01
      3   0.959471D+00  0.161485D+01  0.153509D+01 -0.773850D+00 -0.534118D+01
               101           102           103           104           105 
      1  -0.165890D+01  0.320493D+01 -0.147613D+01  0.156822D+01 -0.332046D+01
      2   0.522318D+00  0.481241D+00  0.717118D+00 -0.650865D+00 -0.378979D+00
      3   0.432337D+01 -0.250619D+01  0.710993D+01 -0.568700D+01  0.263579D+01
               106           107           108           109           110 
      1   0.204419D+01 -0.156800D+01  0.240686D+01 -0.844370D+00  0.794256D+00
      2  -0.146068D+01  0.285905D+00 -0.425369D-01  0.665042D+00  0.209922D+00
      3  -0.430446D+01  0.328168D+01 -0.292487D+01 -0.592210D+00  0.780396D-01
               111           112           113           114           115 
      1   0.194125D+01  0.950091D+00 -0.213817D+01 -0.222580D+01  0.145989D+01
      2  -0.354036D+00  0.180183D+00 -0.126940D+00  0.374120D+00 -0.250518D+01
      3   0.821089D+00  0.883963D+00 -0.684475D+00 -0.853837D+00  0.280692D+01
               116           117           118           119           120 
      1  -0.162317D+01 -0.138001D+02  0.173857D+01  0.276102D+01  0.104859D+01
      2   0.498432D+00  0.873141D+00  0.192545D+00 -0.423629D+00  0.602330D+00
      3  -0.110540D+01 -0.213193D+01 -0.582039D+00 -0.260963D+01 -0.109146D+01
               121           122           123           124           125 
      1   0.212796D+01  0.121547D+02  0.333408D+01  0.129806D+01  0.554479D+01
      2  -0.247928D+01  0.995886D+00  0.328032D+01 -0.213472D+01  0.111549D+01
      3   0.149801D+00 -0.753828D+01 -0.266248D+01 -0.525613D+00 -0.228848D+01
               126           127           128           129           130 
      1   0.346857D+01 -0.547541D+00 -0.241301D+01 -0.142590D+01 -0.942795D+00
      2   0.149158D+01  0.158275D+02  0.334139D+01 -0.541566D+01  0.321079D+01
      3  -0.225616D+01  0.633073D+01  0.330207D+00 -0.229123D+01  0.277581D+01
               131           132           133           134           135 
      1  -0.534843D+00  0.369516D+00 -0.417035D+00  0.243576D+01  0.460016D+00
      2   0.242163D+01 -0.175113D+01 -0.720802D+01 -0.188038D+01  0.505062D+01
      3   0.988115D+00 -0.163226D+01 -0.196306D+01 -0.624137D+00  0.206676D+01
               136           137           138           139           140 
      1  -0.273178D+01  0.451151D+01  0.421272D+00  0.337524D+01 -0.458182D+01
      2  -0.399398D+01  0.252003D+01  0.139774D+01  0.399865D+01 -0.125646D+01
      3  -0.107088D+00 -0.318335D+01  0.395311D+00  0.457005D+00  0.337312D+01
               141           142           143           144           145 
      1   0.223434D+00 -0.764660D+00  0.279690D+01 -0.751604D+00 -0.104307D+01
      2  -0.161878D+01 -0.252131D+01  0.413869D-01  0.215290D+00  0.231021D+01
      3  -0.201693D+01 -0.490674D+00 -0.181317D+01  0.741922D+00 -0.436534D+01
               146           147           148           149           150 
      1  -0.133939D+01 -0.582825D+00 -0.136817D+01 -0.422181D+01 -0.271429D+01
      2   0.110394D+01  0.178538D+01  0.128440D+01  0.391761D+01  0.458844D+01
      3  -0.475695D+01 -0.826524D-01 -0.263425D+01 -0.181671D+02 -0.215413D+01
               151           152           153           154           155 
      1  -0.422245D+00  0.305409D-01 -0.822803D+00  0.215359D+01 -0.144554D+01
      2   0.628504D+00  0.233118D+01  0.476094D+00  0.708033D+01 -0.339252D+01
      3  -0.183659D+00 -0.376396D+01 -0.205414D+01  0.522904D+01 -0.787123D+01
               156           157           158           159           160 
      1   0.138646D+01 -0.175670D+01  0.157804D+01 -0.228769D+01  0.702840D+00
      2   0.579643D+01 -0.358753D+01  0.388894D+01 -0.466959D+01  0.356872D+01
      3   0.974147D+00 -0.528384D+01  0.685974D+01 -0.187583D+01  0.100861D+01
               161           162           163           164           165 
      1  -0.163638D+00  0.948480D+00  0.194978D-01 -0.108926D+00 -0.439739D-01
      2  -0.250662D+01  0.216509D+01 -0.228448D+01 -0.182903D+00  0.889855D+00
      3  -0.330223D+01  0.180669D+01  0.773135D+00 -0.117102D+01  0.616487D-01
               166           167           168           169           170 
      1  -0.347281D+00 -0.277772D+00 -0.305192D+00  0.212959D+00  0.377043D+01
      2  -0.357777D+00 -0.136109D+01 -0.101133D+01 -0.238034D+00 -0.233957D+00
      3  -0.555556D+00 -0.678975D+00  0.188923D+01  0.284192D+00  0.332471D+01
               171 
      1  -0.118379D+01
      2  -0.236109D+02
      3   0.871825D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.629643D+00  0.165679D+02 -0.181450D+02  0.205795D+02 -0.207749D+02
      2  -0.506461D+01 -0.665035D+01  0.807362D+01 -0.998202D+01  0.521201D+01
      3   0.569425D+01 -0.991753D+01  0.100713D+02 -0.105975D+02  0.155629D+02
      4   0.200010D+02 -0.172702D+02  0.247838D+01 -0.248134D+02 -0.148092D+02
      5  -0.186949D+02 -0.706304D+00  0.475396D+01 -0.174205D+01 -0.847501D+01
      6  -0.602951D+00  0.183379D+01 -0.104068D+00  0.165246D+01  0.377688D+01
                 6             7             8             9            10 
      1   0.807364D+00 -0.219735D+02  0.262993D+01  0.101919D+02 -0.891126D+01
      2   0.291943D+00  0.698681D+01 -0.585643D+00  0.972247D+01  0.457159D+00
      3  -0.109931D+01  0.149866D+02 -0.204428D+01 -0.199144D+02  0.845410D+01
      4  -0.998088D+01  0.477645D+01 -0.116365D+02  0.293836D+01 -0.768011D+01
      5   0.177685D+01  0.853966D+00  0.161168D+01  0.315020D+02  0.119276D+02
      6   0.164672D+01  0.503101D+00  0.161447D+01 -0.485422D+01 -0.467083D+01
                11            12            13            14            15 
      1  -0.480678D+01  0.110626D+02 -0.621744D+01  0.139295D+02  0.378969D+01
      2   0.854559D+00 -0.768078D+01  0.289983D+01 -0.171067D+02 -0.651497D+01
      3   0.395222D+01 -0.338184D+01  0.331761D+01  0.317714D+01  0.272528D+01
      4   0.623819D+01 -0.193532D+01  0.151076D+02  0.621616D+01  0.500534D+01
      5   0.115306D+01 -0.107670D+01  0.301314D+01  0.497004D+01  0.181318D+01
      6   0.135651D-02  0.912394D-01  0.674109D+00 -0.805748D+01  0.203705D+01
                16            17            18            19            20 
      1   0.151693D+02  0.277624D+01  0.433048D+01 -0.115513D+02 -0.104869D+01
      2  -0.738125D+01 -0.358390D+01 -0.878565D+00  0.151621D+02  0.702131D+00
      3  -0.778804D+01  0.807658D+00 -0.345192D+01 -0.361074D+01  0.346561D+00
      4  -0.269942D+01  0.494336D+01  0.138274D+01  0.540096D+01  0.188160D+01
      5  -0.129004D+01  0.239562D+01 -0.132599D+02  0.321250D+01 -0.532931D+00
      6  -0.592886D+00 -0.226755D+01  0.235796D+01  0.343634D+01 -0.583637D+00
                21            22            23            24            25 
      1   0.770003D+00 -0.115637D+01  0.399150D+00  0.316947D+01 -0.762541D+01
      2   0.501515D+00  0.131142D+00 -0.403957D+01 -0.176312D+01  0.250837D+01
      3  -0.127152D+01  0.102523D+01  0.364041D+01 -0.140635D+01  0.511704D+01
      4   0.179282D+01 -0.106250D+02  0.185657D+01 -0.727375D-01  0.183370D-01
      5   0.938535D+00  0.145281D+01  0.638516D+00  0.306532D+00  0.108284D+01
      6   0.231420D+00 -0.248264D+00  0.150729D+01 -0.372487D+01 -0.129723D+01
                26            27            28            29            30 
      1   0.127719D+01  0.100799D+02  0.384397D+01  0.956497D+01 -0.138787D+01
      2  -0.461893D+01  0.118682D+02 -0.778451D+01 -0.865289D+01 -0.289528D+01
      3   0.334174D+01 -0.219481D+02  0.394054D+01 -0.912087D+00  0.428315D+01
      4  -0.167565D+01 -0.804879D-01 -0.155823D+00 -0.101674D+02 -0.776020D+01
      5  -0.143689D+01  0.206313D+01 -0.364404D+01 -0.824405D+01 -0.978981D+01
      6   0.105953D+01  0.461200D+01 -0.636511D+01 -0.177167D+01 -0.358412D+01
                31            32            33            34            35 
      1  -0.287897D+01  0.510780D+01  0.118204D+01 -0.451825D+01 -0.497243D+01
      2  -0.271603D+01 -0.138112D+02  0.585747D+01  0.309366D+00 -0.253292D+01
      3   0.559500D+01  0.870339D+01 -0.703952D+01  0.420888D+01  0.750535D+01
      4  -0.179535D+02 -0.206917D+02 -0.510016D+01 -0.157842D+02 -0.183232D+01
      5  -0.160590D+02 -0.743688D+01 -0.102543D+02 -0.481498D+01 -0.351946D+01
      6  -0.230833D+01 -0.928512D+01 -0.621142D+01 -0.204002D+00 -0.361893D+00
                36            37            38            39            40 
      1  -0.254921D+01 -0.145095D+02 -0.140768D+02  0.499355D+01 -0.230847D+02
      2   0.244702D+00  0.968274D+01  0.654826D+01 -0.536024D-03  0.125304D+02
      3   0.230451D+01  0.482674D+01  0.752854D+01 -0.499302D+01  0.105542D+02
      4  -0.290100D+01 -0.184894D+02  0.759231D+01  0.558456D+01  0.997381D+01
      5   0.350641D+01  0.631812D+01  0.573097D+01  0.441262D+01  0.116923D+02
      6  -0.727214D+01  0.506368D+01 -0.258783D+00 -0.342352D+01 -0.103704D+01
                41            42            43            44            45 
      1  -0.262021D+01  0.403423D+01  0.359135D+01  0.184123D+01 -0.403967D+01
      2   0.689836D+01 -0.463188D+01 -0.129675D+01 -0.991266D+00 -0.709680D+01
      3  -0.427814D+01  0.597651D+00 -0.229459D+01 -0.849960D+00  0.111365D+02
      4  -0.146350D+02 -0.461381D+01  0.806071D+01 -0.510737D+01 -0.695248D+01
      5  -0.270846D+01 -0.833691D+01  0.876847D+01 -0.644212D+01 -0.146351D+02
      6   0.402053D+01  0.605591D+01 -0.334455D+01  0.549419D+01  0.339498D+01
                46            47            48            49            50 
      1   0.117216D+02  0.778521D+01 -0.104221D+02  0.688875D+01 -0.329373D+01
      2  -0.162727D+01 -0.156953D+00  0.352202D+01 -0.184609D+00  0.940073D+01
      3  -0.100943D+02 -0.762826D+01  0.690006D+01 -0.670414D+01 -0.610700D+01
      4   0.626924D+01 -0.138959D+02  0.793493D+01 -0.150863D+02 -0.921391D+00
      5  -0.434405D+01  0.101885D+02 -0.117573D+02  0.878893D+01 -0.180602D+02
      6   0.155867D+02 -0.100381D+02 -0.121367D+01 -0.114745D+02 -0.352931D+01
                51            52            53            54            55 
      1   0.148303D+01 -0.912697D+01  0.141567D+00 -0.821608D+01  0.112178D+02
      2   0.373209D+01  0.256850D+01  0.363676D+01 -0.591135D+01 -0.101585D+02
      3  -0.521512D+01  0.655847D+01 -0.377833D+01  0.141274D+02 -0.105926D+01
      4  -0.116361D+02  0.611920D+01 -0.840762D+01 -0.146260D+01  0.687071D+01
      5  -0.926721D+00 -0.111071D+02 -0.234881D+01  0.998859D+01 -0.243740D+01
      6  -0.134299D+02 -0.662217D+00 -0.972321D+01 -0.277389D+01  0.383006D+01
                56            57            58            59            60 
      1  -0.110475D+02  0.802473D+00 -0.787668D+01 -0.105910D+02 -0.323603D+01
      2   0.182928D+02 -0.316370D+01  0.140943D+02  0.180665D+02  0.556421D+01
      3  -0.724529D+01  0.236123D+01 -0.621757D+01 -0.747556D+01 -0.232818D+01
      4  -0.328735D+01  0.294708D+01  0.297082D+01  0.126406D+02 -0.342749D+01
      5   0.213041D+01  0.245041D+01  0.654534D+00 -0.273469D+01  0.124946D+01
      6  -0.585862D+01  0.906058D+01 -0.536605D+01  0.507111D+01  0.162643D+01
                61            62            63            64            65 
      1   0.305624D+01 -0.736825D+00  0.236726D+01  0.171140D+02  0.653226D+01
      2  -0.379147D+01  0.536960D+01 -0.501381D+01 -0.632473D+01  0.103884D+01
      3   0.735228D+00 -0.463277D+01  0.264655D+01 -0.107892D+02 -0.757109D+01
      4   0.385196D+01 -0.291333D+01  0.770347D+01  0.176965D+02  0.197018D+02
      5   0.303871D+01  0.280130D+01 -0.102219D+01  0.125535D+02  0.861666D+01
      6   0.892216D+01 -0.217522D+01 -0.120986D+02  0.551767D+01  0.429760D+01
                66            67            68            69            70 
      1   0.331644D+01  0.107448D+02 -0.130851D+02 -0.545045D+01  0.674919D+01
      2  -0.329662D+01 -0.393311D+00  0.299143D+02  0.187079D+01 -0.368583D+01
      3  -0.198208D-01 -0.103515D+02 -0.168291D+02  0.357965D+01 -0.306335D+01
      4   0.770702D+01  0.269852D+02  0.397317D+02  0.107913D+02  0.920628D+01
      5   0.147907D+02  0.107799D+02  0.136848D+02  0.150266D+02  0.150295D+02
      6   0.559216D+01  0.623973D+01  0.145285D+02  0.149840D+02  0.588491D+01
                71            72            73            74            75 
      1  -0.259054D+01 -0.530696D+01  0.125035D+01 -0.177414D+00 -0.185488D+00
      2   0.205290D+01 -0.312224D+01 -0.469485D+01  0.333413D+00  0.450011D+00
      3   0.537641D+00  0.842920D+01  0.344450D+01 -0.155999D+00 -0.264522D+00
      4   0.873363D+01  0.119333D+02 -0.650128D+00  0.117663D+01 -0.109880D+01
      5   0.127598D+02  0.167677D+02 -0.130573D+01 -0.426079D+00  0.571439D+01
      6   0.134445D+02  0.111865D+02 -0.127291D+01  0.628134D-01  0.437518D+00
                76            77            78            79            80 
      1   0.798419D+00 -0.382007D+01  0.203215D+00  0.127763D+01  0.277599D+01
      2   0.469258D+00  0.627969D+00 -0.124692D+01  0.775770D+00 -0.124843D+01
      3  -0.126768D+01  0.319210D+01  0.104370D+01 -0.205340D+01 -0.152757D+01
      4   0.257508D+01 -0.191850D+00 -0.148640D+00 -0.667669D-01  0.599792D+00
      5   0.111228D+00 -0.533347D+00 -0.211043D+00  0.552163D+01  0.594079D+00
      6   0.137552D+00 -0.102375D+01  0.647757D+01  0.341098D+00  0.527219D+01
                81            82            83            84            85 
      1  -0.193015D+02 -0.470337D+00 -0.277969D+01 -0.228710D+01 -0.415687D+01
      2  -0.160974D+02  0.339354D+01  0.327406D+01  0.186637D+01  0.401747D+01
      3   0.353989D+02 -0.292321D+01 -0.494371D+00  0.420738D+00  0.139404D+00
      4  -0.190431D+00  0.127854D+00  0.318550D+01  0.101111D+01  0.256695D+01
      5  -0.606662D+00 -0.164326D+01  0.703594D+00  0.104890D+01  0.107990D+01
      6  -0.687889D+01  0.191660D+01  0.986808D+00  0.686723D+00  0.742265D+00
                86            87            88            89            90 
      1  -0.173300D+02 -0.287239D+01 -0.349076D+01 -0.402679D+01 -0.502454D+01
      2   0.277767D+02  0.568088D+01  0.207093D+01  0.454212D+01  0.319050D+01
      3  -0.104467D+02 -0.280849D+01  0.141983D+01 -0.515329D+00  0.183405D+01
      4  -0.108665D+02 -0.284989D+01  0.545999D+00 -0.296069D+01 -0.220943D+01
      5  -0.290332D+01 -0.391468D+01  0.211339D+01 -0.260072D+01 -0.627337D+00
      6   0.870471D+01  0.669084D+01  0.105631D+01  0.793435D+01  0.461488D+01
                91            92            93            94            95 
      1   0.457433D+02  0.553167D+01 -0.115954D+02  0.180363D+02  0.609610D+01
      2  -0.260579D+02 -0.352487D+01  0.791549D+01 -0.100353D+02 -0.286007D+01
      3  -0.196854D+02 -0.200680D+01  0.367987D+01 -0.800100D+01 -0.323602D+01
      4   0.492658D+01  0.624993D+01 -0.120577D+01  0.935290D+01  0.422816D+01
      5  -0.175100D+02 -0.168401D+01  0.104195D+02 -0.815589D+01 -0.364320D+01
      6  -0.286449D+01 -0.104228D+01  0.114939D+01 -0.345564D+01 -0.188333D+01
                96            97            98            99           100 
      1  -0.530330D+01 -0.509554D+01 -0.350712D+00  0.529879D+01 -0.251828D+01
      2   0.346791D+01  0.451941D+01  0.536456D+00 -0.483742D+01  0.806683D+01
      3   0.183540D+01  0.576129D+00 -0.185744D+00 -0.461379D+00 -0.554855D+01
      4  -0.325761D+01 -0.745828D+00 -0.182865D+01  0.742053D+00 -0.884490D+01
      5   0.479058D+01  0.963953D+01  0.124632D+01 -0.673553D+01  0.303011D+01
      6   0.210177D+01  0.762273D+00  0.121128D+01 -0.870034D+00 -0.594025D+01
               101           102           103           104           105 
      1   0.773173D+01 -0.237986D+01  0.618500D+01 -0.133760D+02  0.410532D+01
      2  -0.151243D+02  0.387661D+01 -0.116278D+02  0.242739D+02 -0.684621D+01
      3   0.739261D+01 -0.149675D+01  0.544283D+01 -0.108979D+02  0.274090D+01
      4   0.129210D+02 -0.498110D+01  0.109756D+02 -0.121423D+02  0.415973D+01
      5  -0.296340D+01  0.311528D+01 -0.158234D+01  0.271267D+01 -0.150063D+01
      6   0.753521D+01 -0.596665D+01  0.578616D+01 -0.101887D+02  0.741713D+01
               106           107           108           109           110 
      1  -0.364392D+01  0.635290D+01 -0.527740D+01 -0.118180D+01  0.164188D+01
      2   0.475182D+01 -0.881458D+01  0.496060D+01  0.148283D+01 -0.193204D+01
      3  -0.110790D+01  0.246168D+01  0.316796D+00 -0.301031D+00  0.290154D+00
      4  -0.580872D+01  0.571936D+01 -0.494903D+01  0.224881D+00  0.298819D+01
      5   0.309526D+01 -0.250296D+01  0.253289D+01 -0.930900D+00 -0.899230D-01
      6  -0.627048D+01  0.103193D+02 -0.745074D+01  0.900577D+00 -0.175665D+01
               111           112           113           114           115 
      1   0.143041D+01  0.107287D+01 -0.324646D+01 -0.260881D+01  0.995355D+00
      2  -0.852263D+00 -0.110125D+01  0.442787D+01  0.307215D+01 -0.126291D+01
      3  -0.578146D+00  0.283866D-01 -0.118142D+01 -0.463346D+00  0.267553D+00
      4   0.101626D+01  0.282575D+01 -0.105086D+01 -0.964554D+00  0.319839D+01
      5   0.172505D+01  0.508842D-01 -0.210643D+00 -0.352966D+00  0.152523D+01
      6  -0.333717D+01 -0.111731D+01  0.324905D+01  0.620555D+01 -0.320224D+01
               116           117           118           119           120 
      1  -0.597041D+01 -0.782550D+01  0.222424D+01  0.186487D+01  0.164586D+01
      2   0.739958D+01  0.168670D+01 -0.321904D+01 -0.249633D+01 -0.362167D+01
      3  -0.142917D+01  0.613879D+01  0.994805D+00  0.631461D+00  0.197581D+01
      4  -0.186506D+01 -0.292871D+01  0.326908D+01  0.627828D+01  0.150822D+01
      5  -0.947055D+00 -0.109623D+01  0.594043D+01  0.381914D+01  0.789087D+01
      6   0.795666D+01  0.199447D+02  0.191406D+01  0.484862D+01  0.224400D+01
               121           122           123           124           125 
      1   0.356878D+01 -0.308651D+01 -0.521310D+01  0.104934D+01 -0.295536D+01
      2  -0.421727D+01 -0.118121D+01 -0.693099D+01 -0.261699D+01 -0.404739D+01
      3   0.648497D+00  0.426772D+01  0.121441D+02  0.156765D+01  0.700275D+01
      4   0.615718D+01  0.123608D+02  0.691811D+01  0.833105D+00  0.470880D+01
      5   0.712214D+01  0.102420D+02  0.109784D+02  0.615555D+01  0.576582D+01
      6   0.525215D+01  0.172115D+02  0.103720D+02  0.225173D+01  0.957382D+01
               126           127           128           129           130 
      1  -0.429849D+01 -0.906106D+01 -0.570600D+01  0.127562D+02 -0.455156D+01
      2  -0.527683D+01  0.737702D+00  0.266157D+01  0.224723D+01  0.242137D+01
      3   0.957532D+01  0.832336D+01  0.304443D+01 -0.150034D+02  0.213020D+01
      4   0.439417D+01  0.607060D+01  0.337686D+01 -0.303082D+01  0.421329D+01
      5   0.714441D+01 -0.135415D+02 -0.362368D+01  0.564998D+01 -0.372329D+01
      6   0.713438D+01 -0.711304D+01 -0.603972D+01  0.733719D+01 -0.354004D+01
               131           132           133           134           135 
      1  -0.467094D+01  0.438372D+01  0.861735D+01  0.380642D+01 -0.103228D+02
      2   0.232535D+01 -0.110785D+01  0.128515D+01 -0.873234D+00 -0.319922D+01
      3   0.234559D+01 -0.327587D+01 -0.990251D+01 -0.293319D+01  0.135220D+02
      4   0.139072D+01  0.516936D+00 -0.220264D+01 -0.937659D-02  0.224125D+01
      5  -0.108635D-01  0.953316D+00  0.721290D+01  0.163885D+01 -0.472028D+01
      6  -0.454862D+01  0.697078D+01  0.473151D+01  0.607412D+01 -0.581003D+01
               136           137           138           139           140 
      1   0.117971D+02 -0.429542D+01  0.187200D+01 -0.529031D+01 -0.206082D+01
      2  -0.683763D+01 -0.149548D+00 -0.529813D+01  0.153897D+00  0.609515D+01
      3  -0.495951D+01  0.444497D+01  0.342614D+01  0.513641D+01 -0.403433D+01
      4  -0.160418D+02  0.146552D+02 -0.835442D+01  0.152084D+02 -0.165177D+02
      5   0.185124D+02 -0.116755D+02  0.156384D+02 -0.126439D+02  0.128350D+02
      6  -0.110538D+02  0.112576D+02 -0.848119D+01  0.105232D+02 -0.150030D+02
               141           142           143           144           145 
      1   0.307614D+01  0.139985D+01  0.197964D+01 -0.153894D+01  0.914126D+01
      2   0.680141D+00 -0.379925D+01  0.942904D+00 -0.377049D+01 -0.148759D+01
      3  -0.375629D+01  0.239940D+01 -0.292255D+01  0.530943D+01 -0.765367D+01
      4   0.928093D+01 -0.528560D+01  0.609512D+01 -0.693675D+01  0.733856D+01
      5  -0.107120D+02  0.116163D+02 -0.751425D+01  0.103671D+02  0.200326D+01
      6   0.128853D+02 -0.623582D+01  0.965392D+01 -0.863777D+01 -0.662436D+00
               146           147           148           149           150 
      1   0.694253D+01  0.293564D+01  0.157935D+02  0.846854D+01  0.131511D+00
      2  -0.185023D+01 -0.984968D+00 -0.559208D+01  0.555964D+01  0.175693D+01
      3  -0.509230D+01 -0.195067D+01 -0.102014D+02 -0.140282D+02 -0.188844D+01
      4   0.129201D+02  0.987678D+00  0.176110D+02  0.321892D+02  0.329209D+01
      5   0.120945D+00  0.210520D+01 -0.190572D+01  0.306960D+01  0.822795D+01
      6  -0.157427D+01  0.348076D+00 -0.154616D+01 -0.449472D+01  0.225749D+01
               151           152           153           154           155 
      1   0.759246D+01  0.132117D+01 -0.191540D+00  0.482520D+02 -0.173588D+02
      2  -0.298033D+01  0.718418D+00 -0.110714D+01 -0.200827D+02  0.544239D+01
      3  -0.461212D+01 -0.203958D+01  0.129868D+01 -0.281693D+02  0.119164D+02
      4   0.227954D+01  0.624053D+01  0.432246D+01 -0.239187D+02  0.183232D+02
      5   0.334354D+01  0.483064D+01  0.461899D-01  0.212244D+01 -0.794499D+00
      6   0.115344D+01  0.234230D+01  0.107571D+01  0.168364D+01 -0.183075D+01
               156           157           158           159           160 
      1   0.652953D+01 -0.263365D+02  0.132408D+02 -0.196578D+01  0.157322D+02
      2  -0.209279D+01  0.904000D+01  0.112604D+00 -0.550523D+00 -0.636531D+01
      3  -0.443674D+01  0.172965D+02 -0.133534D+02  0.251630D+01 -0.936692D+01
      4  -0.287609D+01  0.231269D+02 -0.185798D+02  0.404778D+01 -0.694055D+01
      5   0.803447D+01  0.323079D+00  0.232736D+01 -0.732518D+01  0.784025D+01
      6  -0.132473D+01 -0.176282D+01  0.897829D+00  0.239465D+01 -0.151191D+01
               161           162           163           164           165 
      1  -0.390675D+01  0.446447D+01  0.129758D+01 -0.174672D+01 -0.459971D+01
      2   0.585858D+00 -0.352968D+01 -0.302845D+01  0.829956D+00  0.287773D+01
      3   0.332090D+01 -0.934793D+00  0.173088D+01  0.916760D+00  0.172198D+01
      4   0.695257D+01 -0.522215D+01 -0.157577D+01  0.259222D+01  0.203497D+00
      5  -0.464159D+01  0.276819D+01 -0.373437D+01  0.206130D+00  0.697891D+01
      6   0.162218D+01 -0.107317D+01  0.696473D+00 -0.692973D-01  0.256817D+00
               166           167           168           169           170 
      1  -0.267805D+01  0.407049D+00 -0.100189D+01 -0.831211D+01 -0.678486D+00
      2   0.121118D+01 -0.107875D+01  0.189991D+00  0.884783D+01  0.225680D+00
      3   0.146687D+01  0.671703D+00  0.811903D+00 -0.535722D+00  0.452806D+00
      4   0.490509D+01  0.631686D+00 -0.412611D+01  0.643791D+00 -0.575656D+01
      5   0.743327D+00 -0.376350D+01 -0.158842D+01  0.164526D+02 -0.850939D+00
      6  -0.131729D+01  0.975666D+00  0.628638D+01 -0.144583D+01  0.641527D+01
               171 
      1  -0.115358D+02
      2  -0.205278D+02
      3   0.320636D+02
      4  -0.182478D+01
      5  -0.461492D+02
      6   0.532742D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:39:05 2021, MaxMem=  5368709120 cpu:            5092.6 elap:             638.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32506 -19.26315 -14.43932 -10.44000 -10.34595
 Alpha  occ. eigenvalues --  -10.30977 -10.29112 -10.28287  -1.21374  -1.11941
 Alpha  occ. eigenvalues --   -0.99845  -0.89204  -0.80420  -0.78068  -0.72227
 Alpha  occ. eigenvalues --   -0.65532  -0.61079  -0.60395  -0.58291  -0.55412
 Alpha  occ. eigenvalues --   -0.53268  -0.52456  -0.50579  -0.50051  -0.47071
 Alpha  occ. eigenvalues --   -0.46071  -0.43484  -0.42232  -0.41511  -0.41131
 Alpha  occ. eigenvalues --   -0.39689  -0.33178
 Alpha virt. eigenvalues --    0.06506   0.06831   0.09896   0.11139   0.11286
 Alpha virt. eigenvalues --    0.12930   0.14596   0.15372   0.16007   0.16665
 Alpha virt. eigenvalues --    0.17570   0.18295   0.19571   0.20177   0.20979
 Alpha virt. eigenvalues --    0.21355   0.22427   0.23318   0.24264   0.24693
 Alpha virt. eigenvalues --    0.25494   0.26302   0.26982   0.27206   0.28128
 Alpha virt. eigenvalues --    0.28312   0.30078   0.30813   0.31119   0.31962
 Alpha virt. eigenvalues --    0.33799   0.34514   0.34937   0.36840   0.36999
 Alpha virt. eigenvalues --    0.37311   0.38247   0.38843   0.39068   0.40087
 Alpha virt. eigenvalues --    0.40643   0.40799   0.41547   0.42104   0.42610
 Alpha virt. eigenvalues --    0.43231   0.44194   0.44708   0.45305   0.46000
 Alpha virt. eigenvalues --    0.46553   0.46791   0.47417   0.47553   0.48725
 Alpha virt. eigenvalues --    0.49211   0.50197   0.50791   0.52269   0.52411
 Alpha virt. eigenvalues --    0.53591   0.54344   0.54787   0.55556   0.56555
 Alpha virt. eigenvalues --    0.56838   0.57905   0.58790   0.59210   0.59829
 Alpha virt. eigenvalues --    0.60290   0.60802   0.61237   0.61643   0.62688
 Alpha virt. eigenvalues --    0.63336   0.63755   0.64950   0.65517   0.66352
 Alpha virt. eigenvalues --    0.66691   0.67389   0.68150   0.69988   0.70198
 Alpha virt. eigenvalues --    0.71091   0.72553   0.74030   0.74445   0.75083
 Alpha virt. eigenvalues --    0.77022   0.77674   0.78018   0.78649   0.79698
 Alpha virt. eigenvalues --    0.80808   0.82445   0.84120   0.85213   0.85897
 Alpha virt. eigenvalues --    0.87430   0.89195   0.90394   0.90831   0.92347
 Alpha virt. eigenvalues --    0.96181   0.97158   1.01375   1.02652   1.03272
 Alpha virt. eigenvalues --    1.04926   1.06569   1.09518   1.11174   1.12254
 Alpha virt. eigenvalues --    1.12903   1.13790   1.14732   1.15556   1.15700
 Alpha virt. eigenvalues --    1.18220   1.21460   1.25315   1.26150   1.30300
 Alpha virt. eigenvalues --    1.31367   1.32054   1.34169   1.35003   1.38619
 Alpha virt. eigenvalues --    1.40727   1.42874   1.45685   1.47424   1.51204
 Alpha virt. eigenvalues --    1.51642   1.55245   1.58554   1.60155   1.61195
 Alpha virt. eigenvalues --    1.61781   1.66569   1.69429   1.71068   1.71805
 Alpha virt. eigenvalues --    1.74232   1.76941   1.80403   1.80647   1.83187
 Alpha virt. eigenvalues --    1.85854   1.87555   1.88024   1.90562   1.93358
 Alpha virt. eigenvalues --    1.95217   1.96056   1.97355   1.98522   1.99469
 Alpha virt. eigenvalues --    2.01579   2.04505   2.05809   2.07875   2.09072
 Alpha virt. eigenvalues --    2.10001   2.12572   2.14221   2.15331   2.15526
 Alpha virt. eigenvalues --    2.17372   2.19006   2.21620   2.22195   2.24670
 Alpha virt. eigenvalues --    2.26531   2.29157   2.29649   2.33695   2.36177
 Alpha virt. eigenvalues --    2.36704   2.39188   2.40435   2.43857   2.45105
 Alpha virt. eigenvalues --    2.49903   2.50328   2.52370   2.54912   2.56926
 Alpha virt. eigenvalues --    2.61633   2.63621   2.68658   2.72448   2.74957
 Alpha virt. eigenvalues --    2.76803   2.77746   2.80966   2.89828   2.95680
 Alpha virt. eigenvalues --    2.96769   2.97449   3.00564   3.06787   3.08041
 Alpha virt. eigenvalues --    3.09869   3.10888   3.12480   3.17557   3.19988
 Alpha virt. eigenvalues --    3.22096   3.26183   3.27307   3.28609   3.33579
 Alpha virt. eigenvalues --    3.35075   3.47154   3.53203   3.69354   3.73560
 Alpha virt. eigenvalues --    3.90841   4.04099
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.227069   0.311227  -0.001748   0.012517   0.000849  -0.022834
     2  C    0.311227   5.633889   0.365789  -0.068228  -0.024047   0.414476
     3  C   -0.001748   0.365789   5.494241  -0.126828  -0.066659  -0.028710
     4  C    0.012517  -0.068228  -0.126828   5.308836  -0.038439  -0.025479
     5  O    0.000849  -0.024047  -0.066659  -0.038439   8.366448  -0.003080
     6  C   -0.022834   0.414476  -0.028710  -0.025479  -0.003080   4.177723
     7  N    0.040329  -0.184205  -0.250126   0.073223   0.016026  -0.042312
     8  O    0.006051  -0.022795  -0.023477   0.255589  -0.012011   0.001301
     9  H   -0.067994   0.102536   0.264176  -0.078834   0.001988   0.023609
    10  H   -0.062738   0.308419  -0.050485  -0.020995   0.000713  -0.020610
    11  H    0.000000   0.002791   0.017978   0.083220   0.177746   0.001647
    12  H    0.001168   0.012508   0.175773   0.015573  -0.016058   0.006990
    13  H   -0.014161  -0.016499   0.223900  -0.122836   0.036217   0.011106
    14  H   -0.001517   0.116896   0.003493  -0.019774  -0.002995   0.223224
    15  H    0.007973   0.073976  -0.036333   0.037054   0.005747   0.288213
    16  H   -0.007671   0.107295  -0.000195   0.012295  -0.001579   0.179494
    17  H    0.169836   0.167233  -0.023125  -0.000119  -0.000634  -0.010402
    18  H    0.189848   0.159526   0.010855  -0.003456   0.000492  -0.017323
    19  H    0.358201  -0.013429  -0.004080   0.014696  -0.000252   0.007586
               7          8          9         10         11         12
     1  C    0.040329   0.006051  -0.067994  -0.062738   0.000000   0.001168
     2  C   -0.184205  -0.022795   0.102536   0.308419   0.002791   0.012508
     3  C   -0.250126  -0.023477   0.264176  -0.050485   0.017978   0.175773
     4  C    0.073223   0.255589  -0.078834  -0.020995   0.083220   0.015573
     5  O    0.016026  -0.012011   0.001988   0.000713   0.177746  -0.016058
     6  C   -0.042312   0.001301   0.023609  -0.020610   0.001647   0.006990
     7  N    8.078086   0.019077  -0.068199   0.028199  -0.006463  -0.261188
     8  O    0.019077   8.393483  -0.034227  -0.036835  -0.068671  -0.005824
     9  H   -0.068199  -0.034227   0.850898   0.032171   0.004732  -0.011361
    10  H    0.028199  -0.036835   0.032171   1.059716  -0.000201  -0.005669
    11  H   -0.006463  -0.068671   0.004732  -0.000201   0.624912   0.001972
    12  H   -0.261188  -0.005824  -0.011361  -0.005669   0.001972   0.979037
    13  H   -0.295010  -0.009290   0.040470  -0.000773   0.001839   0.043949
    14  H   -0.045663   0.000292  -0.001627  -0.012749  -0.000074   0.005103
    15  H    0.001932   0.000533  -0.004434  -0.005521  -0.002220   0.000961
    16  H    0.015751   0.000839  -0.004040   0.021648  -0.000143  -0.000382
    17  H   -0.003123   0.000088   0.007522   0.007910   0.000042  -0.000557
    18  H   -0.004574  -0.001085   0.005878   0.023045  -0.000003  -0.000076
    19  H    0.010009   0.002659  -0.022028  -0.021612  -0.000035   0.000832
              13         14         15         16         17         18
     1  C   -0.014161  -0.001517   0.007973  -0.007671   0.169836   0.189848
     2  C   -0.016499   0.116896   0.073976   0.107295   0.167233   0.159526
     3  C    0.223900   0.003493  -0.036333  -0.000195  -0.023125   0.010855
     4  C   -0.122836  -0.019774   0.037054   0.012295  -0.000119  -0.003456
     5  O    0.036217  -0.002995   0.005747  -0.001579  -0.000634   0.000492
     6  C    0.011106   0.223224   0.288213   0.179494  -0.010402  -0.017323
     7  N   -0.295010  -0.045663   0.001932   0.015751  -0.003123  -0.004574
     8  O   -0.009290   0.000292   0.000533   0.000839   0.000088  -0.001085
     9  H    0.040470  -0.001627  -0.004434  -0.004040   0.007522   0.005878
    10  H   -0.000773  -0.012749  -0.005521   0.021648   0.007910   0.023045
    11  H    0.001839  -0.000074  -0.002220  -0.000143   0.000042  -0.000003
    12  H    0.043949   0.005103   0.000961  -0.000382  -0.000557  -0.000076
    13  H    1.053397   0.032033  -0.010166  -0.003778  -0.006498   0.001940
    14  H    0.032033   0.698193   0.009346  -0.055236   0.020088  -0.015594
    15  H   -0.010166   0.009346   0.738630  -0.056618  -0.001659   0.000491
    16  H   -0.003778  -0.055236  -0.056618   0.802832  -0.017126   0.015072
    17  H   -0.006498   0.020088  -0.001659  -0.017126   0.664446   0.003934
    18  H    0.001940  -0.015594   0.000491   0.015072   0.003934   0.740337
    19  H   -0.001851  -0.002082  -0.001005   0.005277  -0.059533  -0.055059
              19
     1  C    0.358201
     2  C   -0.013429
     3  C   -0.004080
     4  C    0.014696
     5  O   -0.000252
     6  C    0.007586
     7  N    0.010009
     8  O    0.002659
     9  H   -0.022028
    10  H   -0.021612
    11  H   -0.000035
    12  H    0.000832
    13  H   -0.001851
    14  H   -0.002082
    15  H   -0.001005
    16  H    0.005277
    17  H   -0.059533
    18  H   -0.055059
    19  H    0.727684
 Mulliken charges:
               1
     1  C    0.853595
     2  C   -1.447360
     3  C    0.055561
     4  C    0.691984
     5  O   -0.440469
     6  C    0.835380
     7  N   -0.121769
     8  O   -0.465697
     9  H   -0.041238
    10  H   -0.243634
    11  H    0.160930
    12  H    0.057249
    13  H    0.036012
    14  H    0.048641
    15  H   -0.046903
    16  H   -0.013735
    17  H    0.081676
    18  H   -0.054248
    19  H    0.054023
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.935046
     2  C   -1.690993
     3  C    0.014323
     4  C    0.691984
     5  O   -0.279539
     6  C    0.823384
     7  N   -0.028507
     8  O   -0.465697
 Electronic spatial extent (au):  <R**2>=           1051.7864
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4889    Y=              1.1301    Z=              1.0690  Tot=              1.6306
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.7373   YY=            -53.0786   ZZ=            -48.8341
   XY=             -5.4548   XZ=             -2.6100   YZ=             -2.6839
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1460   YY=             -3.1953   ZZ=              1.0492
   XY=             -5.4548   XZ=             -2.6100   YZ=             -2.6839
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -34.7306  YYY=              8.5283  ZZZ=             -1.7136  XYY=             -2.9588
  XXY=              0.2156  XXZ=             11.6717  XZZ=             -4.9879  YZZ=              4.2655
  YYZ=              3.7647  XYZ=              7.1663
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -719.0869 YYYY=           -301.7060 ZZZZ=           -257.7296 XXXY=             -6.9258
 XXXZ=            -31.6987 YYYX=            -24.6445 YYYZ=             -1.1071 ZZZX=             -7.2107
 ZZZY=              1.7020 XXYY=           -200.0193 XXZZ=           -172.9118 YYZZ=            -91.6993
 XXYZ=            -11.7548 YYXZ=              0.4026 ZZXY=             -2.3250
 N-N= 4.077431076457D+02 E-N=-1.752219348315D+03  KE= 3.977983699722D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:39:06 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0831    1.0829        0.4203    0.4197
 2     -1.0831   -1.0829       -0.9647   -0.9645       -5.3089   -5.3086
 3     -0.4203   -0.4197        6.5164    6.5170        0.9647    0.9645
 4      0.9647    0.9645       -0.0000    0.0000       -0.4190   -0.4197
 5     -1.2074   -1.2084        0.4190    0.4197        1.0830    1.0829
 6     -0.9647   -0.9645       -1.0830   -1.0829       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.2487   -3.2487        1.2591    1.2591
 2      2.8936    2.8936       -0.0000    0.0000        1.2591    1.2591
 3      2.8936    2.8936       -3.2487   -3.2487        0.0000    0.0000
 4     -3.2487   -3.2487       -2.8936   -2.8936      -15.9259  -15.9259
 5     -1.2591   -1.2591       19.5511   19.5511        2.8936    2.8936
 6     -3.6252   -3.6252        1.2591    1.2591        3.2487    3.2487
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3138    0.0000       -4.3444   -4.3316       -1.6111   -1.6787
 2      4.4113    4.3316        4.1958    3.8581       20.8282   21.2345
 3      1.5055    1.6787      -26.3574  -26.0681       -3.6953   -3.8581
 4     -4.2258   -3.8581       -0.0272    0.0000        1.8573    1.6787
 5      5.0719    4.8336       -1.4852   -1.6787       -4.3114   -4.3316
 6      3.6043    3.8581        4.2614    4.3316       -0.0085    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1053    0.0000        6.4588    6.5707       -4.1337   -4.4104
 2     -6.7737   -6.5707        7.5321    7.8081       13.8027   13.1572
 3      4.2652    4.4104       16.2392   16.6879       -7.2132   -7.8081
 4     -7.7483   -7.8081       -0.0113    0.0000        4.3353    4.4104
 5    -29.9360  -29.8451       -4.5627   -4.4104        6.0310    6.5707
 6      7.6294    7.8081       -6.5197   -6.5707       -0.0597    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.5225   -7.7333       13.1636   12.8573        9.3590    9.3804
 2    -22.7843  -23.1154       16.3940   16.3231        9.4854    9.3804
 3    -22.8091  -23.1154       13.1119   12.8573       14.5468   14.6591
 4     -3.7474   -3.4658       15.0527   15.3821       21.0029   20.5438
 5      4.9663    5.2787       37.6380   37.8120      -15.1139  -15.3821
 6    -58.4676  -58.3559       -5.0426   -5.2787        2.6148    3.4658
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.8811                 0.3949                 0.5226
  Dep-P Fr= 1--      0.7332                 0.7462                 0.6238
  Dep-U Fr= 1--      0.8461                 0.8547                 0.7683
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0012
 Beta2  Fr= 1--      0.1242                 0.0562                 0.0669
 AlphaG Fr= 1--     -0.0020                -0.0001                -0.0033
 Gamma2 Fr= 1--      0.0368                 0.1073                 0.1304
 Delta2 Fr= 1--     -0.0184                 0.0337                 0.1002
 Raman1 Fr= 1--       3.524                  1.579                  2.090
 ROA1   Fr= 1--       2.941                 11.377                 15.731
 CID1   Fr= 1--       0.835                  7.204                  7.525
 Raman2 Fr= 1--       1.491                  0.675                  0.803
 ROA2   Fr= 1--       1.030                  2.305                  2.329
 CID2   Fr= 1--       0.691                  3.416                  2.900
 Raman3 Fr= 1--       2.982                  1.350                  1.606
 ROA3   Fr= 1--       2.941                 11.377                 15.731
 CID3   Fr= 1--       0.986                  8.429                  9.794
 RC180  Fr= 1--       0.692                  0.709                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1088                 0.1253                 0.4022
  Dep-P Fr= 1--      0.6402                 0.7042                 0.2529
  Dep-U Fr= 1--      0.7806                 0.8264                 0.4037
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0047
 Beta2  Fr= 1--      0.0141                 0.0173                 0.0271
 AlphaG Fr= 1--      0.0005                 0.0014                -0.0066
 Gamma2 Fr= 1--     -0.0366                -0.1129                -0.1028
 Delta2 Fr= 1--      0.0043                 0.0131                -0.0475
 Raman1 Fr= 1--       0.435                  0.501                  1.609
 ROA1   Fr= 1--      -3.378                -10.421                -11.384
 CID1   Fr= 1--      -7.765                -20.786                 -7.076
 Raman2 Fr= 1--       0.170                  0.207                  0.325
 ROA2   Fr= 1--      -0.914                 -2.815                 -2.086
 CID2   Fr= 1--      -5.381                -13.587                 -6.424
 Raman3 Fr= 1--       0.340                  0.414                  0.650
 ROA3   Fr= 1--      -3.378                -10.421                -11.384
 CID3   Fr= 1--      -9.947                -25.152                -17.526
 RC180  Fr= 1--       0.561                  0.653                 -0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0498                 0.2271                 1.1694
  Dep-P Fr= 1--      0.5148                 0.6683                 0.3288
  Dep-U Fr= 1--      0.6797                 0.8011                 0.4948
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0110
 Beta2  Fr= 1--      0.0056                 0.0303                 0.0964
 AlphaG Fr= 1--      0.0009                -0.0014                 0.0003
 Gamma2 Fr= 1--     -0.0516                 0.0855                -0.1230
 Delta2 Fr= 1--      0.0118                 0.1133                -0.0887
 Raman1 Fr= 1--       0.199                  0.908                  4.677
 ROA1   Fr= 1--      -4.574                 11.831                -14.648
 CID1   Fr= 1--     -22.956                 13.023                 -3.132
 Raman2 Fr= 1--       0.068                  0.364                  1.157
 ROA2   Fr= 1--      -1.332                  1.146                 -2.242
 CID2   Fr= 1--     -19.674                  3.148                 -1.937
 Raman3 Fr= 1--       0.135                  0.728                  2.315
 ROA3   Fr= 1--      -4.574                 11.831                -14.648
 CID3   Fr= 1--     -33.775                 16.255                 -6.329
 RC180  Fr= 1--       0.359                  0.602                 -0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.4686                 3.7175                 1.3533
  Dep-P Fr= 1--      0.3032                 0.1884                 0.7084
  Dep-U Fr= 1--      0.4653                 0.3170                 0.8293
 Alpha2 Fr= 1--      0.0048                 0.0521                 0.0010
 Beta2  Fr= 1--      0.0363                 0.1964                 0.1871
 AlphaG Fr= 1--     -0.0246                 0.0337                 0.0149
 Gamma2 Fr= 1--      0.1141                 0.6817                -1.2842
 Delta2 Fr= 1--     -0.0492                -0.0733                 0.1515
 Raman1 Fr= 1--       1.874                 14.870                  5.413
 ROA1   Fr= 1--       9.378                 63.099               -118.434
 CID1   Fr= 1--       5.003                  4.243                -21.878
 Raman2 Fr= 1--       0.436                  2.357                  2.245
 ROA2   Fr= 1--       3.131                 16.948                -32.033
 CID2   Fr= 1--       7.181                  7.190                -14.270
 Raman3 Fr= 1--       0.872                  4.714                  4.489
 ROA3   Fr= 1--       9.378                 63.099               -118.434
 CID3   Fr= 1--      10.753                 13.384                -26.381
 RC180  Fr= 1--      -0.069                 -0.366                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.4652                 2.7208                12.1851
  Dep-P Fr= 1--      0.7491                 0.0947                 0.0644
  Dep-U Fr= 1--      0.8566                 0.1731                 0.1209
 Alpha2 Fr= 1--      0.0000                 0.0483                 0.2326
 Beta2  Fr= 1--      0.0664                 0.0785                 0.2456
 AlphaG Fr= 1--     -0.0002                 0.0343                 0.1672
 Gamma2 Fr= 1--      0.4769                -0.0118                -0.9325
 Delta2 Fr= 1--      0.2951                 0.0112                 0.0990
 Raman1 Fr= 1--       1.861                 10.883                 48.740
 ROA1   Fr= 1--      55.231                 -0.777                -86.350
 CID1   Fr= 1--      29.682                 -0.071                 -1.772
 Raman2 Fr= 1--       0.797                  0.942                  2.947
 ROA2   Fr= 1--       9.086                 -0.373                -23.171
 CID2   Fr= 1--      11.401                 -0.396                 -7.863
 Raman3 Fr= 1--       1.594                  1.884                  5.894
 ROA3   Fr= 1--      55.231                 -0.777                -86.350
 CID3   Fr= 1--      34.653                 -0.413                -14.650
 RC180  Fr= 1--       0.713                 -0.654                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.6205                 6.0166                 0.7075
  Dep-P Fr= 1--      0.7403                 0.0588                 0.6779
  Dep-U Fr= 1--      0.8508                 0.1111                 0.8081
 Alpha2 Fr= 1--      0.0001                 0.1164                 0.0009
 Beta2  Fr= 1--      0.0880                 0.1114                 0.0953
 AlphaG Fr= 1--     -0.0027                -0.0881                -0.0016
 Gamma2 Fr= 1--     -0.2455                 0.2141                -0.1594
 Delta2 Fr= 1--      0.0235                 0.0859                -0.0791
 Raman1 Fr= 1--       2.482                 24.066                  2.830
 ROA1   Fr= 1--     -22.817                 23.307                -17.839
 CID1   Fr= 1--      -9.192                  0.968                 -6.304
 Raman2 Fr= 1--       1.056                  1.337                  1.143
 ROA2   Fr= 1--      -6.080                  4.452                 -3.194
 CID2   Fr= 1--      -5.758                  3.330                 -2.793
 Raman3 Fr= 1--       2.112                  2.674                  2.287
 ROA3   Fr= 1--     -22.817                 23.307                -17.839
 CID3   Fr= 1--     -10.805                  8.717                 -7.801
 RC180  Fr= 1--       0.702                 -0.778                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.1636                 4.1694                 1.8922
  Dep-P Fr= 1--      0.5674                 0.7084                 0.7260
  Dep-U Fr= 1--      0.7240                 0.8293                 0.8413
 Alpha2 Fr= 1--      0.0040                 0.0030                 0.0008
 Beta2  Fr= 1--      0.1404                 0.5763                 0.2653
 AlphaG Fr= 1--     -0.0065                -0.0043                -0.0049
 Gamma2 Fr= 1--      0.8131                 0.4204                 0.1820
 Delta2 Fr= 1--      0.4545                -0.0129                 0.1381
 Raman1 Fr= 1--       4.654                 16.678                  7.569
 ROA1   Fr= 1--      92.595                 39.950                 21.890
 CID1   Fr= 1--      19.894                  2.395                  2.892
 Raman2 Fr= 1--       1.685                  6.916                  3.184
 ROA2   Fr= 1--      15.878                 10.193                  3.263
 CID2   Fr= 1--       9.424                  1.474                  1.025
 Raman3 Fr= 1--       3.370                 13.832                  6.367
 ROA3   Fr= 1--      92.595                 39.950                 21.890
 CID3   Fr= 1--      27.479                  2.888                  3.438
 RC180  Fr= 1--       0.448                  0.659                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      3.8254                 3.7100                 0.9782
  Dep-P Fr= 1--      0.4467                 0.5677                 0.3130
  Dep-U Fr= 1--      0.6176                 0.7242                 0.4767
 Alpha2 Fr= 1--      0.0238                 0.0128                 0.0096
 Beta2  Fr= 1--      0.3938                 0.4478                 0.0777
 AlphaG Fr= 1--     -0.0272                -0.0162                 0.0103
 Gamma2 Fr= 1--      0.5674                -0.8827                -0.3691
 Delta2 Fr= 1--      0.6970                -0.3246                -0.5304
 Raman1 Fr= 1--      15.302                 14.840                  3.913
 ROA1   Fr= 1--      76.780                -95.128                -52.408
 CID1   Fr= 1--       5.018                 -6.410                -13.394
 Raman2 Fr= 1--       4.725                  5.374                  0.933
 ROA2   Fr= 1--       8.042                -18.589                 -4.616
 CID2   Fr= 1--       1.702                 -3.459                 -4.950
 Raman3 Fr= 1--       9.450                 10.748                  1.865
 ROA3   Fr= 1--      76.780                -95.128                -52.408
 CID3   Fr= 1--       8.125                 -8.851                -28.097
 RC180  Fr= 1--       0.235                  0.448                 -0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      3.7875                 1.9872                 1.8668
  Dep-P Fr= 1--      0.6145                 0.6174                 0.3735
  Dep-U Fr= 1--      0.7612                 0.7634                 0.5439
 Alpha2 Fr= 1--      0.0094                 0.0048                 0.0152
 Beta2  Fr= 1--      0.4805                 0.2528                 0.1692
 AlphaG Fr= 1--      0.0009                -0.0079                 0.0122
 Gamma2 Fr= 1--      0.1418                -0.4219                -0.3791
 Delta2 Fr= 1--      0.4405                 0.2452                -0.3253
 Raman1 Fr= 1--      15.150                  7.949                  7.467
 ROA1   Fr= 1--      27.710                -32.660                -46.803
 CID1   Fr= 1--       1.829                 -4.109                 -6.268
 Raman2 Fr= 1--       5.766                  3.034                  2.031
 ROA2   Fr= 1--      -0.120                -12.088                 -6.496
 CID2   Fr= 1--      -0.021                 -3.984                 -3.199
 Raman3 Fr= 1--      11.533                  6.068                  4.062
 ROA3   Fr= 1--      27.710                -32.660                -46.803
 CID3   Fr= 1--       2.403                 -5.382                -11.523
 RC180  Fr= 1--       0.522                  0.527                  0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      3.5868                 2.9734                 6.0385
  Dep-P Fr= 1--      0.6522                 0.7057                 0.5983
  Dep-U Fr= 1--      0.7895                 0.8275                 0.7486
 Alpha2 Fr= 1--      0.0063                 0.0023                 0.0170
 Beta2  Fr= 1--      0.4720                 0.4101                 0.7535
 AlphaG Fr= 1--     -0.0064                -0.0028                 0.0666
 Gamma2 Fr= 1--     -0.1984                 0.7419                -0.5100
 Delta2 Fr= 1--     -0.6920                 0.1697                -1.3442
 Raman1 Fr= 1--      14.347                 11.894                 24.154
 ROA1   Fr= 1--     -41.193                 76.648                -91.974
 CID1   Fr= 1--      -2.871                  6.444                 -3.808
 Raman2 Fr= 1--       5.664                  4.921                  9.041
 ROA2   Fr= 1--       0.774                 16.447                 -1.486
 CID2   Fr= 1--       0.137                  3.342                 -0.164
 Raman3 Fr= 1--      11.328                  9.842                 18.083
 ROA3   Fr= 1--     -41.193                 76.648                -91.974
 CID3   Fr= 1--      -3.637                  7.788                 -5.086
 RC180  Fr= 1--       0.579                  0.655                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      3.3394                 2.9789                 0.1803
  Dep-P Fr= 1--      0.7122                 0.4485                 0.7422
  Dep-U Fr= 1--      0.8319                 0.6192                 0.8520
 Alpha2 Fr= 1--      0.0022                 0.0184                 0.0000
 Beta2  Fr= 1--      0.4630                 0.3074                 0.0256
 AlphaG Fr= 1--     -0.0020                 0.0193                -0.0000
 Gamma2 Fr= 1--     -1.1317                 0.9537                -0.0365
 Delta2 Fr= 1--      0.1873                -0.0353                -0.0440
 Raman1 Fr= 1--      13.358                 11.916                  0.721
 ROA1   Fr= 1--    -102.654                 90.423                 -4.917
 CID1   Fr= 1--      -7.685                  7.589                 -6.819
 Raman2 Fr= 1--       5.556                  3.689                  0.307
 ROA2   Fr= 1--     -28.660                 23.170                 -0.524
 CID2   Fr= 1--      -5.158                  6.281                 -1.707
 Raman3 Fr= 1--      11.112                  7.378                  0.614
 ROA3   Fr= 1--    -102.654                 90.423                 -4.917
 CID3   Fr= 1--      -9.238                 12.255                 -8.004
 RC180  Fr= 1--       0.664                  0.238                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.3873                 7.5115                 1.6400
  Dep-P Fr= 1--      0.6231                 0.7499                 0.7151
  Dep-U Fr= 1--      0.7678                 0.8571                 0.8339
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0010
 Beta2  Fr= 1--      0.0496                 1.0730                 0.2279
 AlphaG Fr= 1--      0.0011                 0.0006                 0.0038
 Gamma2 Fr= 1--     -0.1896                 0.0464                 0.1734
 Delta2 Fr= 1--      0.1561                -0.3076                 0.1436
 Raman1 Fr= 1--       1.549                 30.046                  6.560
 ROA1   Fr= 1--     -13.203                 -5.387                 21.240
 CID1   Fr= 1--      -8.522                 -0.179                  3.238
 Raman2 Fr= 1--       0.595                 12.876                  2.735
 ROA2   Fr= 1--      -5.799                  3.575                  3.012
 CID2   Fr= 1--      -9.750                  0.278                  1.101
 Raman3 Fr= 1--       1.189                 25.752                  5.470
 ROA3   Fr= 1--     -13.203                 -5.387                 21.240
 CID3   Fr= 1--     -11.100                 -0.209                  3.883
 RC180  Fr= 1--       0.536                  0.714                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.4963                 3.8863                 2.2928
  Dep-P Fr= 1--      0.7319                 0.7485                 0.5708
  Dep-U Fr= 1--      0.8452                 0.8562                 0.7268
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0078
 Beta2  Fr= 1--      0.3516                 0.5546                 0.2777
 AlphaG Fr= 1--      0.0042                -0.0008                -0.0070
 Gamma2 Fr= 1--     -0.3545                -0.6778                -0.2299
 Delta2 Fr= 1--      0.1384                -0.2264                 0.0922
 Raman1 Fr= 1--       9.985                 15.545                  9.171
 ROA1   Fr= 1--     -29.603                -72.310                -19.126
 CID1   Fr= 1--      -2.965                 -4.652                 -2.085
 Raman2 Fr= 1--       4.220                  6.655                  3.333
 ROA2   Fr= 1--      -9.615                -14.455                 -6.256
 CID2   Fr= 1--      -2.279                 -2.172                 -1.877
 Raman3 Fr= 1--       8.440                 13.310                  6.665
 ROA3   Fr= 1--     -29.603                -72.310                -19.126
 CID3   Fr= 1--      -3.508                 -5.433                 -2.869
 RC180  Fr= 1--       0.690                  0.712                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--     12.9143                30.2133               278.0426
  Dep-P Fr= 1--      0.1590                 0.0470                 0.0075
  Dep-U Fr= 1--      0.2744                 0.0899                 0.0149
 Alpha2 Fr= 1--      0.1951                 0.6010                 6.0710
 Beta2  Fr= 1--      0.5906                 0.4525                 0.6927
 AlphaG Fr= 1--     -0.0640                 0.0552                -0.0750
 Gamma2 Fr= 1--      0.8199                -1.6541                 1.0806
 Delta2 Fr= 1--     -1.1145                -1.3584                 0.8787
 Raman1 Fr= 1--      51.657                120.853               1112.170
 ROA1   Fr= 1--      43.043               -202.260                131.857
 CID1   Fr= 1--       0.833                 -1.674                  0.119
 Raman2 Fr= 1--       7.088                  5.430                  8.313
 ROA2   Fr= 1--      28.593                -28.830                 18.906
 CID2   Fr= 1--       4.034                 -5.310                  2.274
 Raman3 Fr= 1--      14.175                 10.860                 16.625
 ROA3   Fr= 1--      43.043               -202.260                131.857
 CID3   Fr= 1--       3.037                -18.625                  7.931
 RC180  Fr= 1--      -0.451                 -0.820                 -0.970
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     60.4614               114.4041                55.0408
  Dep-P Fr= 1--      0.6146                 0.0761                 0.7449
  Dep-U Fr= 1--      0.7613                 0.1414                 0.8538
 Alpha2 Fr= 1--      0.1502                 2.1229                 0.0047
 Beta2  Fr= 1--      7.6719                 2.6965                 7.8326
 AlphaG Fr= 1--      0.0256                -0.2347                -0.0184
 Gamma2 Fr= 1--      4.4350                -7.4795                 4.9673
 Delta2 Fr= 1--      4.2369                -4.7409                 3.9621
 Raman1 Fr= 1--     241.845                457.616                220.163
 ROA1   Fr= 1--     561.345               -869.737                603.643
 CID1   Fr= 1--       2.321                 -1.901                  2.742
 Raman2 Fr= 1--      92.063                 32.359                 93.991
 ROA2   Fr= 1--      72.546               -141.580                 87.518
 CID2   Fr= 1--       0.788                 -4.375                  0.931
 Raman3 Fr= 1--     184.126                 64.717                187.983
 ROA3   Fr= 1--     561.345               -869.737                603.643
 CID3   Fr= 1--       3.049                -13.439                  3.211
 RC180  Fr= 1--       0.523                 -0.717                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     32.8353                84.2352                42.8286
  Dep-P Fr= 1--      0.6088                 0.6036                 0.7111
  Dep-U Fr= 1--      0.7569                 0.7528                 0.8311
 Alpha2 Fr= 1--      0.0854                 0.2278                 0.0289
 Beta2  Fr= 1--      4.1420                10.5691                 5.9328
 AlphaG Fr= 1--     -0.1040                 0.0296                -0.0544
 Gamma2 Fr= 1--     -4.7315                 4.7404                -3.5917
 Delta2 Fr= 1--     -4.6399                 6.4368                -3.5773
 Raman1 Fr= 1--     131.341                336.941                171.314
 ROA1   Fr= 1--    -602.696                661.055               -459.272
 CID1   Fr= 1--      -4.589                  1.962                 -2.681
 Raman2 Fr= 1--      49.703                126.829                 71.193
 ROA2   Fr= 1--     -76.436                 62.275                -57.581
 CID2   Fr= 1--      -1.538                  0.491                 -0.809
 Raman3 Fr= 1--      99.407                253.658                142.386
 ROA3   Fr= 1--    -602.696                661.055               -459.272
 CID3   Fr= 1--      -6.063                  2.606                 -3.226
 RC180  Fr= 1--       0.514                  0.506                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--     99.3360                39.8059               115.2238
  Dep-P Fr= 1--      0.1014                 0.6881                 0.2238
  Dep-U Fr= 1--      0.1841                 0.8152                 0.3658
 Alpha2 Fr= 1--      1.7333                 0.0433                 1.4678
 Beta2  Fr= 1--      3.0480                 5.4084                 7.0246
 AlphaG Fr= 1--      0.4613                 0.1151                 0.1067
 Gamma2 Fr= 1--      0.9562                 1.4748                 2.5636
 Delta2 Fr= 1--     -0.1389                 0.5553                -0.7342
 Raman1 Fr= 1--     397.344                159.224                460.895
 ROA1   Fr= 1--      87.344                159.348                222.615
 CID1   Fr= 1--       0.220                  1.001                  0.483
 Raman2 Fr= 1--      36.576                 64.901                 84.296
 ROA2   Fr= 1--      24.059                 30.951                 67.400
 CID2   Fr= 1--       0.658                  0.477                  0.800
 Raman3 Fr= 1--      73.152                129.802                168.591
 ROA3   Fr= 1--      87.344                159.348                222.615
 CID3   Fr= 1--       1.194                  1.228                  1.320
 RC180  Fr= 1--      -0.632                  0.630                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.860775D+02  0.839368D+00 -0.216578D+01
      2   0.839368D+00  0.754602D+02  0.192904D+01
      3  -0.216578D+01  0.192904D+01  0.730434D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.484004D+00 -0.116371D+01  0.146966D+01
      2   0.557411D+01 -0.706261D+01  0.327086D+02
      3   0.510104D+01 -0.249005D+02  0.785996D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.688712D+02 -0.178463D+02  0.431477D+01
      2  -0.383022D+02  0.193694D+02 -0.103443D+02
      3  -0.305690D+02 -0.152316D+01  0.602954D+01
      4  -0.220975D+02  0.386620D+02 -0.183103D+02
      5   0.101009D+02 -0.211883D+02  0.617774D+02
      6  -0.516036D+01  0.720543D+00 -0.924019D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.156961D+00  0.285583D+01 -0.327848D+01  0.428234D+01 -0.342353D+01
      2   0.285583D+01 -0.280750D+01  0.125141D+00 -0.342353D+01 -0.314050D+01
      3  -0.327848D+01  0.125141D+00  0.651816D+00  0.524019D-01 -0.199030D+01
                 6             7             8             9            10 
      1   0.524019D-01 -0.428814D+01  0.411644D+00 -0.521328D+00  0.191570D+01
      2  -0.199030D+01  0.411644D+00 -0.199025D+01  0.231252D+00 -0.241798D+01
      3   0.554664D+00 -0.521328D+00  0.231252D+00  0.710076D+01  0.381469D+01
                11            12            13            14            15 
      1  -0.241798D+01  0.381469D+01 -0.592550D+01  0.274694D+01  0.683273D-01
      2   0.301891D+01  0.237299D+00  0.274694D+01  0.409938D+01  0.259618D+01
      3   0.237299D+00 -0.378229D+00  0.683273D-01  0.259618D+01  0.591590D+00
                16            17            18            19            20 
      1   0.540796D+01  0.110841D+00  0.203181D+00 -0.325206D+01  0.322752D+01
      2   0.110841D+00  0.260912D+01  0.107440D+01  0.322752D+01 -0.903753D+00
      3   0.203181D+00  0.107440D+01 -0.513235D+01 -0.223557D+01  0.124075D+00
                21            22            23            24            25 
      1  -0.223557D+01  0.619597D+01 -0.333796D+00  0.149816D+00 -0.205112D+01
      2   0.124075D+00 -0.333796D+00 -0.106370D+01 -0.113600D+01  0.424249D+00
      3  -0.530667D+00  0.149816D+00 -0.113600D+01  0.110187D+01 -0.950841D+00
                26            27            28            29            30 
      1   0.424249D+00 -0.950841D+00 -0.684057D+00 -0.133795D+01  0.119438D+01
      2  -0.969448D+00  0.654424D-01 -0.133795D+01  0.871803D+00  0.155917D+01
      3   0.654424D-01  0.601054D+01  0.119438D+01  0.155917D+01  0.688356D+00
                31            32            33            34            35 
      1   0.258779D+01  0.119630D+01  0.143173D+01  0.132561D+01  0.205347D+01
      2   0.119630D+01  0.301302D+01  0.170308D+01  0.205347D+01  0.198939D+01
      3   0.143173D+01  0.170308D+01  0.943768D+00  0.592140D+00  0.105762D+00
                36            37            38            39            40 
      1   0.592140D+00  0.425405D+01  0.290870D+01 -0.806154D+00  0.469775D+01
      2   0.105762D+00  0.290870D+01  0.600608D-01 -0.765920D+00 -0.770314D+00
      3  -0.454740D-01 -0.806154D+00 -0.765920D+00  0.554625D+00 -0.156370D+01
                41            42            43            44            45 
      1  -0.770314D+00 -0.156370D+01  0.374745D+00 -0.116255D+01 -0.672896D+00
      2   0.308611D+01  0.773103D+00 -0.116255D+01  0.498100D+00  0.131169D+01
      3   0.773103D+00  0.155066D+01 -0.672896D+00  0.131169D+01  0.274272D+01
                46            47            48            49            50 
      1   0.140239D+01  0.334747D+01 -0.421861D+01  0.353998D+01 -0.309481D+01
      2   0.334747D+01 -0.293337D+01  0.106053D+00 -0.309481D+01 -0.182384D+01
      3  -0.421861D+01  0.106053D+00  0.375044D+00  0.904905D-01 -0.349878D+01
                51            52            53            54            55 
      1   0.904905D-01 -0.346409D+01 -0.119157D+00  0.281416D+00  0.309783D+01
      2  -0.349878D+01 -0.119157D+00 -0.284390D+01 -0.615151D+00 -0.132008D+01
      3   0.115076D+00  0.281416D+00 -0.615151D+00  0.359140D+01  0.106343D+01
                56            57            58            59            60 
      1  -0.132008D+01  0.106343D+01 -0.101589D+01  0.295071D+01 -0.711565D+00
      2   0.424997D+01 -0.761992D+00  0.295071D+01  0.224864D+01  0.108186D+01
      3  -0.761992D+00  0.205000D+01 -0.711565D+00  0.108186D+01 -0.103343D+01
                61            62            63            64            65 
      1   0.134223D+01 -0.990650D+00  0.208659D+01 -0.348152D+01 -0.302690D+01
      2  -0.990650D+00  0.111876D+01 -0.797337D+00 -0.302690D+01 -0.260396D+01
      3   0.208659D+01 -0.797337D+00 -0.343543D+01 -0.184968D+01 -0.127146D+01
                66            67            68            69            70 
      1  -0.184968D+01 -0.593669D+01 -0.308010D+01 -0.102765D+01 -0.278309D+01
      2  -0.127146D+01 -0.308010D+01 -0.931790D+01 -0.272311D+01 -0.129572D+01
      3  -0.135280D+01 -0.102765D+01 -0.272311D+01 -0.286205D+01 -0.178124D+01
                71            72            73            74            75 
      1  -0.129572D+01 -0.178124D+01  0.630868D+00 -0.400366D+00 -0.883519D+00
      2  -0.257665D+01 -0.279741D+01 -0.400366D+00  0.229904D+00 -0.105555D+00
      3  -0.279741D+01 -0.377522D+01 -0.883519D+00 -0.105555D+00  0.298406D+00
                76            77            78            79            80 
      1  -0.112152D+01  0.160537D+00  0.673829D-02 -0.153820D+01 -0.126385D+00
      2   0.160537D+00  0.515231D+00 -0.103916D+01 -0.126385D+00 -0.142782D+01
      3   0.673829D-02 -0.103916D+01 -0.283321D-01  0.209166D+00  0.504796D+00
                81            82            83            84            85 
      1   0.209166D+00 -0.119425D+01 -0.751179D+00 -0.945617D+00 -0.112408D+01
      2   0.504796D+00 -0.751179D+00 -0.974621D+00 -0.355044D-01 -0.855043D+00
      3  -0.826537D+01 -0.945617D+00 -0.355044D-01 -0.261358D+00 -0.606054D-01
                86            87            88            89            90 
      1  -0.855043D+00 -0.606054D-01 -0.138352D+01 -0.896900D-01 -0.126737D+00
      2  -0.675430D+01 -0.161513D+01 -0.896900D-01 -0.163958D+01 -0.150691D+01
      3  -0.161513D+01 -0.180179D+01 -0.126737D+00 -0.150691D+01 -0.625651D+00
                91            92            93            94            95 
      1  -0.837441D+01 -0.929151D+00  0.247495D+01 -0.368815D+01 -0.141761D+01
      2  -0.929151D+00 -0.133823D+01  0.144650D+00 -0.141761D+01 -0.638113D+00
      3   0.247495D+01  0.144650D+00 -0.175769D+01  0.125838D+01  0.523910D+00
                96            97            98            99           100 
      1   0.125838D+01  0.161397D+01  0.245636D+00 -0.130774D+01 -0.176395D+01
      2   0.523910D+00  0.245636D+00  0.476545D+00 -0.802485D-01  0.237440D+01
      3  -0.819018D+00 -0.130774D+01 -0.802485D-01  0.124223D+01 -0.103832D+01
               101           102           103           104           105 
      1   0.237440D+01 -0.103832D+01  0.211147D+01 -0.259551D+01  0.860998D+00
      2  -0.321719D+01  0.108361D+01 -0.259551D+01  0.498005D+01 -0.147524D+01
      3   0.108361D+01 -0.102655D+01  0.860998D+00 -0.147524D+01  0.127230D+01
               106           107           108           109           110 
      1  -0.163426D+01  0.137324D+01 -0.115058D+01 -0.144259D+00  0.464987D+00
      2   0.137324D+01 -0.249402D+01  0.160287D+01  0.464987D+00 -0.290744D+00
      3  -0.115058D+01  0.160287D+01 -0.143236D+01  0.300135D+00 -0.307890D+00
               111           112           113           114           115 
      1   0.300135D+00  0.348817D+00 -0.191174D+00 -0.298984D+00  0.974590D+00
      2  -0.307890D+00 -0.191174D+00  0.104049D+01  0.880669D+00 -0.508228D+00
      3  -0.702245D+00 -0.298984D+00  0.880669D+00  0.853336D+00 -0.659850D+00
               116           117           118           119           120 
      1  -0.508228D+00 -0.659850D+00  0.904539D+00  0.639986D+00  0.112504D+01
      2   0.208562D+01  0.146860D+01  0.639986D+00  0.124441D+01  0.512306D+00
      3   0.146860D+01  0.519488D+01  0.112504D+01  0.512306D+00  0.994693D+00
               121           122           123           124           125 
      1   0.133921D+01  0.114794D+01  0.830708D+00  0.943855D+00  0.408968D+00
      2   0.114794D+01  0.459921D+01  0.215244D+01  0.408968D+00  0.171090D+01
      3   0.830708D+00  0.215244D+01  0.307819D+01  0.570065D+00  0.153053D+01
               126           127           128           129           130 
      1   0.570065D+00 -0.537142D+01 -0.131222D+01  0.231262D+01 -0.128524D+01
      2   0.153053D+01 -0.131222D+01 -0.112428D+01  0.914791D+00 -0.631686D+00
      3   0.195442D+01  0.231262D+01  0.914791D+00 -0.326555D+01  0.575880D+00
               131           132           133           134           135 
      1  -0.631686D+00  0.575880D+00  0.174120D+01  0.533056D+00 -0.184871D+01
      2  -0.901635D+00  0.120922D+01  0.533056D+00  0.943223D+00 -0.711412D+00
      3   0.120922D+01 -0.106307D+01 -0.184871D+01 -0.711412D+00  0.234248D+01
               136           137           138           139           140 
      1   0.385416D+01 -0.252483D+01  0.232868D+01 -0.281364D+01  0.250270D+01
      2  -0.252483D+01  0.255002D+01 -0.133177D+01  0.250270D+01 -0.339877D+01
      3   0.232868D+01 -0.133177D+01  0.226852D+01 -0.133358D+01  0.221382D+01
               141           142           143           144           145 
      1  -0.133358D+01  0.140815D+01 -0.890751D+00  0.146424D+01  0.123373D+01
      2   0.221382D+01 -0.890751D+00  0.150558D+01 -0.136170D+01  0.127180D+01
      3  -0.222485D+01  0.146424D+01 -0.136170D+01  0.174783D+01  0.477050D+00
               146           147           148           149           150 
      1   0.127180D+01  0.477050D+00  0.297446D+01  0.222648D+01 -0.145971D+00
      2   0.154537D+01  0.679204D-01  0.222648D+01  0.571043D+01  0.576741D+00
      3   0.679204D-01  0.263445D+00 -0.145971D+00  0.576741D+00  0.133597D+01
               151           152           153           154           155 
      1   0.127819D+01  0.309856D+00  0.482824D+00  0.662711D+01 -0.281328D+01
      2   0.309856D+00  0.113869D+01  0.803379D+00 -0.281328D+01  0.220935D+01
      3   0.482824D+00  0.803379D+00 -0.841697D-01  0.913687D+00 -0.339446D+00
               156           157           158           159           160 
      1   0.913687D+00 -0.461867D+01  0.282880D+01 -0.247564D+00  0.275462D+01
      2  -0.339446D+00  0.282880D+01 -0.239586D+01  0.624767D+00 -0.723986D+00
      3   0.101363D+01 -0.247564D+00  0.624767D+00 -0.114225D+01  0.111167D+01
               161           162           163           164           165 
      1  -0.723986D+00  0.111167D+01  0.188604D+00 -0.256771D+00 -0.748705D+00
      2   0.975336D+00 -0.730481D+00 -0.256771D+00  0.213851D+00  0.445277D-01
      3  -0.730481D+00  0.257480D+00 -0.748705D+00  0.445277D-01  0.116565D+00
               166           167           168           169           170 
      1  -0.548401D+00  0.633166D+00  0.641479D-01 -0.202270D+01  0.361605D-01
      2   0.633166D+00  0.142076D+00 -0.858069D+00  0.361605D-01 -0.110961D+01
      3   0.641479D-01 -0.858069D+00 -0.422641D+00  0.201863D+01 -0.980671D-01
               171 
      1   0.201863D+01
      2  -0.980671D-01
      3  -0.938872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.268001D+01  0.224399D+01  0.954091D-01  0.324357D+01  0.214365D+01
      2  -0.890404D+01  0.281488D+01  0.463463D+00  0.376812D+01 -0.826844D+01
      3  -0.764787D+01  0.548458D+01  0.515803D+00  0.127688D+02  0.104789D+02
                 6             7             8             9            10 
      1  -0.480991D+00  0.689292D+00  0.314943D+01 -0.352580D+00  0.334170D+01
      2   0.129597D+01 -0.868644D+01  0.840976D+00  0.204201D+02  0.760125D+01
      3   0.461944D+01 -0.110316D+01  0.571465D+01 -0.111955D+01  0.320681D+01
                11            12            13            14            15 
      1  -0.555157D+00  0.147803D+00 -0.754948D+00  0.315343D+01 -0.422660D+01
      2  -0.851898D+00  0.432111D+01 -0.414725D+01  0.343319D+01  0.206688D+00
      3  -0.400357D+01 -0.120955D+01  0.157249D+01 -0.890129D+01 -0.408570D+01
                16            17            18            19            20 
      1  -0.386532D+00  0.234490D+01 -0.281364D+01 -0.384459D+01  0.325126D+00
      2  -0.241828D+01  0.122100D+01 -0.518715D+01 -0.677982D+00  0.579239D+00
      3  -0.731756D+00 -0.338249D+01 -0.248959D+00 -0.188056D-01 -0.486317D+01
                21            22            23            24            25 
      1  -0.109951D+01 -0.804731D+00  0.102245D+01  0.192980D+01 -0.553737D+00
      2   0.725835D+00  0.676273D+01 -0.640730D+00  0.135590D+01 -0.644346D+01
      3   0.138147D+01  0.165859D+01  0.563674D+00  0.275109D+01 -0.858411D+00
                26            27            28            29            30 
      1   0.510433D+01 -0.180540D+01  0.884873D+00  0.192583D+00  0.219331D+01
      2  -0.162042D+00 -0.259877D+01 -0.894871D+01 -0.430784D+00 -0.311047D+01
      3   0.161188D+01 -0.148572D+00 -0.568943D+01  0.199399D+01 -0.172875D+01
                31            32            33            34            35 
      1   0.233127D+01 -0.652422D+01  0.109111D+01 -0.199490D+01  0.201059D+01
      2   0.912242D+01 -0.856680D+00 -0.496319D+01 -0.113537D+02 -0.306075D+01
      3   0.460165D+01  0.100671D+02 -0.760562D-01 -0.551475D+01 -0.245946D+01
                36            37            38            39            40 
      1   0.818113D+01  0.917000D+00 -0.822853D-01  0.143497D+01  0.183514D+01
      2   0.368527D+01  0.129587D+01  0.416841D-01  0.219594D+01 -0.728422D+00
      3   0.179473D+01  0.551436D+01 -0.170388D+01 -0.939237D+00  0.448053D+01
                41            42            43            44            45 
      1   0.252414D+01 -0.269082D+01  0.107050D+01  0.343691D+01 -0.175211D+01
      2  -0.329530D+01 -0.320240D+01 -0.120567D+01 -0.294038D+01 -0.722010D+01
      3   0.864499D+01  0.139660D+01  0.223744D+01  0.258317D+01  0.194174D+01
                46            47            48            49            50 
      1   0.336684D+01 -0.558585D+01  0.674382D+00 -0.574477D+01 -0.578644D+01
      2  -0.982544D+01 -0.650791D+01  0.121391D+02 -0.492953D+01  0.729485D+00
      3  -0.590841D+01 -0.257711D+00  0.253212D+01  0.378264D+01  0.481845D+01
                51            52            53            54            55 
      1  -0.105503D+02 -0.339835D-01 -0.434000D+01  0.259917D+01 -0.150965D+01
      2  -0.266471D+00  0.540477D+01 -0.514378D+00  0.321658D+01  0.954513D+00
      3   0.449528D+01  0.235660D+01  0.360519D+01  0.478575D+00  0.762304D+01
                56            57            58            59            60 
      1   0.122375D+01 -0.583864D+01  0.109927D+01 -0.461167D+01 -0.323596D+01
      2   0.129688D+01  0.449482D+01 -0.142419D+01  0.298236D+00  0.135713D-01
      3  -0.995664D+01  0.138431D+01  0.313571D+01  0.690618D+01 -0.290588D+01
                61            62            63            64            65 
      1  -0.403037D+01  0.686140D+01  0.867427D+01  0.157154D+01  0.270101D+01
      2  -0.997968D+00  0.267100D+00 -0.619417D+00  0.701462D+00  0.391583D+00
      3   0.268268D+01 -0.219919D+01  0.521783D+01  0.131897D+01 -0.550527D+01
                66            67            68            69            70 
      1  -0.333927D+01  0.285415D+00  0.514057D+01 -0.744370D+01  0.885680D+00
      2   0.580314D+01 -0.857429D+01  0.257393D+01  0.622789D+01 -0.369902D+00
      3  -0.778154D+00  0.449870D+01 -0.157871D+02 -0.326788D+01  0.108553D+01
                71            72            73            74            75 
      1   0.373005D+01 -0.328296D+01  0.781814D+00 -0.288270D+00  0.167223D-01
      2   0.551153D+01  0.438212D+01  0.110389D+01 -0.239352D+00  0.576567D-01
      3  -0.228694D+01 -0.456830D+01  0.100450D+01 -0.417524D+00 -0.693090D+00
                76            77            78            79            80 
      1  -0.691859D-01 -0.632881D+00 -0.187531D+00  0.800860D-01  0.339223D+01
      2  -0.833985D+00  0.460523D+00  0.149262D-01 -0.375199D+01  0.131376D-01
      3   0.113662D+01  0.715600D-01 -0.485307D+00 -0.466047D+00 -0.469339D+00
                81            82            83            84            85 
      1   0.176621D+01 -0.130198D+01  0.121143D+00 -0.560286D+00 -0.164553D+00
      2   0.812553D+00 -0.201829D+01 -0.292545D+00 -0.355484D-02 -0.866999D+00
      3   0.122157D+00  0.323517D+01  0.112583D+01  0.965743D+00  0.525942D+01
                86            87            88            89            90 
      1   0.117797D+00 -0.355357D+01 -0.222710D+00  0.258436D+00 -0.530535D+00
      2  -0.177537D+01 -0.172378D+01 -0.217897D+01 -0.164094D+01 -0.660183D+00
      3   0.824260D+01  0.218644D+01  0.206478D+01  0.203843D+01  0.196875D+01
                91            92            93            94            95 
      1  -0.172765D+01 -0.139706D+01  0.325300D+00 -0.735549D+00 -0.105813D+01
      2  -0.102008D+01  0.464390D+00  0.425471D+01 -0.111517D+01 -0.487542D+00
      3  -0.440369D+01 -0.476857D+01  0.132393D+01 -0.275655D+01 -0.315124D+01
                96            97            98            99           100 
      1  -0.250057D+00  0.802988D+00  0.560612D+00 -0.444450D+00  0.145522D+01
      2   0.222784D+01  0.830898D+00  0.394343D+00 -0.176648D+01 -0.114276D+01
      3   0.959471D+00  0.161485D+01  0.153509D+01 -0.773850D+00 -0.534118D+01
               101           102           103           104           105 
      1  -0.165890D+01  0.320493D+01 -0.147613D+01  0.156822D+01 -0.332046D+01
      2   0.522318D+00  0.481241D+00  0.717118D+00 -0.650865D+00 -0.378979D+00
      3   0.432337D+01 -0.250619D+01  0.710993D+01 -0.568700D+01  0.263579D+01
               106           107           108           109           110 
      1   0.204419D+01 -0.156800D+01  0.240686D+01 -0.844370D+00  0.794256D+00
      2  -0.146068D+01  0.285905D+00 -0.425367D-01  0.665042D+00  0.209922D+00
      3  -0.430446D+01  0.328168D+01 -0.292487D+01 -0.592210D+00  0.780397D-01
               111           112           113           114           115 
      1   0.194125D+01  0.950091D+00 -0.213817D+01 -0.222580D+01  0.145989D+01
      2  -0.354035D+00  0.180183D+00 -0.126940D+00  0.374120D+00 -0.250518D+01
      3   0.821089D+00  0.883963D+00 -0.684475D+00 -0.853837D+00  0.280692D+01
               116           117           118           119           120 
      1  -0.162317D+01 -0.138001D+02  0.173857D+01  0.276102D+01  0.104859D+01
      2   0.498432D+00  0.873140D+00  0.192546D+00 -0.423629D+00  0.602330D+00
      3  -0.110540D+01 -0.213193D+01 -0.582038D+00 -0.260963D+01 -0.109146D+01
               121           122           123           124           125 
      1   0.212796D+01  0.121547D+02  0.333408D+01  0.129806D+01  0.554479D+01
      2  -0.247928D+01  0.995887D+00  0.328032D+01 -0.213472D+01  0.111549D+01
      3   0.149802D+00 -0.753828D+01 -0.266248D+01 -0.525613D+00 -0.228848D+01
               126           127           128           129           130 
      1   0.346857D+01 -0.547542D+00 -0.241301D+01 -0.142590D+01 -0.942796D+00
      2   0.149158D+01  0.158275D+02  0.334139D+01 -0.541566D+01  0.321079D+01
      3  -0.225616D+01  0.633073D+01  0.330207D+00 -0.229123D+01  0.277581D+01
               131           132           133           134           135 
      1  -0.534843D+00  0.369516D+00 -0.417035D+00  0.243576D+01  0.460015D+00
      2   0.242163D+01 -0.175113D+01 -0.720801D+01 -0.188038D+01  0.505062D+01
      3   0.988115D+00 -0.163226D+01 -0.196306D+01 -0.624137D+00  0.206676D+01
               136           137           138           139           140 
      1  -0.273178D+01  0.451151D+01  0.421272D+00  0.337524D+01 -0.458181D+01
      2  -0.399398D+01  0.252003D+01  0.139774D+01  0.399865D+01 -0.125646D+01
      3  -0.107088D+00 -0.318335D+01  0.395311D+00  0.457005D+00  0.337312D+01
               141           142           143           144           145 
      1   0.223434D+00 -0.764660D+00  0.279690D+01 -0.751604D+00 -0.104307D+01
      2  -0.161878D+01 -0.252131D+01  0.413869D-01  0.215290D+00  0.231021D+01
      3  -0.201693D+01 -0.490674D+00 -0.181317D+01  0.741922D+00 -0.436534D+01
               146           147           148           149           150 
      1  -0.133939D+01 -0.582825D+00 -0.136817D+01 -0.422181D+01 -0.271429D+01
      2   0.110394D+01  0.178538D+01  0.128440D+01  0.391761D+01  0.458844D+01
      3  -0.475695D+01 -0.826522D-01 -0.263425D+01 -0.181671D+02 -0.215413D+01
               151           152           153           154           155 
      1  -0.422245D+00  0.305407D-01 -0.822803D+00  0.215359D+01 -0.144554D+01
      2   0.628503D+00  0.233118D+01  0.476094D+00  0.708033D+01 -0.339252D+01
      3  -0.183659D+00 -0.376396D+01 -0.205414D+01  0.522904D+01 -0.787123D+01
               156           157           158           159           160 
      1   0.138646D+01 -0.175670D+01  0.157804D+01 -0.228769D+01  0.702840D+00
      2   0.579643D+01 -0.358753D+01  0.388894D+01 -0.466959D+01  0.356872D+01
      3   0.974148D+00 -0.528384D+01  0.685974D+01 -0.187583D+01  0.100861D+01
               161           162           163           164           165 
      1  -0.163637D+00  0.948480D+00  0.194980D-01 -0.108926D+00 -0.439739D-01
      2  -0.250662D+01  0.216509D+01 -0.228448D+01 -0.182903D+00  0.889855D+00
      3  -0.330223D+01  0.180669D+01  0.773135D+00 -0.117102D+01  0.616486D-01
               166           167           168           169           170 
      1  -0.347281D+00 -0.277772D+00 -0.305192D+00  0.212958D+00  0.377043D+01
      2  -0.357777D+00 -0.136109D+01 -0.101133D+01 -0.238034D+00 -0.233956D+00
      3  -0.555555D+00 -0.678976D+00  0.188923D+01  0.284191D+00  0.332471D+01
               171 
      1  -0.118379D+01
      2  -0.236109D+02
      3   0.871825D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.629649D+00  0.165679D+02 -0.181450D+02  0.205795D+02 -0.207749D+02
      2  -0.506460D+01 -0.665036D+01  0.807362D+01 -0.998202D+01  0.521201D+01
      3   0.569425D+01 -0.991753D+01  0.100713D+02 -0.105975D+02  0.155629D+02
      4   0.200010D+02 -0.172702D+02  0.247838D+01 -0.248134D+02 -0.148092D+02
      5  -0.186949D+02 -0.706305D+00  0.475396D+01 -0.174205D+01 -0.847501D+01
      6  -0.602953D+00  0.183379D+01 -0.104067D+00  0.165246D+01  0.377688D+01
                 6             7             8             9            10 
      1   0.807364D+00 -0.219735D+02  0.262993D+01  0.101919D+02 -0.891126D+01
      2   0.291942D+00  0.698681D+01 -0.585644D+00  0.972247D+01  0.457157D+00
      3  -0.109931D+01  0.149866D+02 -0.204428D+01 -0.199144D+02  0.845410D+01
      4  -0.998088D+01  0.477645D+01 -0.116365D+02  0.293836D+01 -0.768012D+01
      5   0.177685D+01  0.853966D+00  0.161168D+01  0.315020D+02  0.119276D+02
      6   0.164672D+01  0.503101D+00  0.161447D+01 -0.485422D+01 -0.467082D+01
                11            12            13            14            15 
      1  -0.480678D+01  0.110626D+02 -0.621745D+01  0.139295D+02  0.378969D+01
      2   0.854562D+00 -0.768078D+01  0.289983D+01 -0.171067D+02 -0.651497D+01
      3   0.395222D+01 -0.338184D+01  0.331761D+01  0.317714D+01  0.272528D+01
      4   0.623819D+01 -0.193532D+01  0.151076D+02  0.621616D+01  0.500534D+01
      5   0.115306D+01 -0.107670D+01  0.301314D+01  0.497004D+01  0.181318D+01
      6   0.135687D-02  0.912392D-01  0.674110D+00 -0.805748D+01  0.203705D+01
                16            17            18            19            20 
      1   0.151693D+02  0.277624D+01  0.433048D+01 -0.115513D+02 -0.104869D+01
      2  -0.738125D+01 -0.358390D+01 -0.878565D+00  0.151621D+02  0.702133D+00
      3  -0.778804D+01  0.807657D+00 -0.345192D+01 -0.361074D+01  0.346561D+00
      4  -0.269942D+01  0.494336D+01  0.138274D+01  0.540096D+01  0.188160D+01
      5  -0.129004D+01  0.239562D+01 -0.132599D+02  0.321250D+01 -0.532930D+00
      6  -0.592886D+00 -0.226755D+01  0.235796D+01  0.343634D+01 -0.583637D+00
                21            22            23            24            25 
      1   0.770002D+00 -0.115637D+01  0.399150D+00  0.316947D+01 -0.762541D+01
      2   0.501516D+00  0.131141D+00 -0.403956D+01 -0.176312D+01  0.250837D+01
      3  -0.127152D+01  0.102523D+01  0.364041D+01 -0.140635D+01  0.511704D+01
      4   0.179282D+01 -0.106250D+02  0.185657D+01 -0.727370D-01  0.183364D-01
      5   0.938535D+00  0.145281D+01  0.638516D+00  0.306532D+00  0.108284D+01
      6   0.231420D+00 -0.248263D+00  0.150729D+01 -0.372487D+01 -0.129723D+01
                26            27            28            29            30 
      1   0.127719D+01  0.100799D+02  0.384397D+01  0.956498D+01 -0.138787D+01
      2  -0.461893D+01  0.118682D+02 -0.778451D+01 -0.865289D+01 -0.289528D+01
      3   0.334174D+01 -0.219481D+02  0.394054D+01 -0.912087D+00  0.428316D+01
      4  -0.167564D+01 -0.804880D-01 -0.155820D+00 -0.101674D+02 -0.776020D+01
      5  -0.143689D+01  0.206313D+01 -0.364404D+01 -0.824405D+01 -0.978981D+01
      6   0.105953D+01  0.461200D+01 -0.636511D+01 -0.177167D+01 -0.358412D+01
                31            32            33            34            35 
      1  -0.287896D+01  0.510780D+01  0.118205D+01 -0.451825D+01 -0.497243D+01
      2  -0.271604D+01 -0.138112D+02  0.585747D+01  0.309363D+00 -0.253292D+01
      3   0.559500D+01  0.870339D+01 -0.703952D+01  0.420888D+01  0.750535D+01
      4  -0.179535D+02 -0.206917D+02 -0.510016D+01 -0.157842D+02 -0.183232D+01
      5  -0.160590D+02 -0.743688D+01 -0.102543D+02 -0.481498D+01 -0.351946D+01
      6  -0.230834D+01 -0.928512D+01 -0.621142D+01 -0.204003D+00 -0.361893D+00
                36            37            38            39            40 
      1  -0.254921D+01 -0.145095D+02 -0.140768D+02  0.499355D+01 -0.230847D+02
      2   0.244702D+00  0.968273D+01  0.654827D+01 -0.534767D-03  0.125304D+02
      3   0.230451D+01  0.482674D+01  0.752854D+01 -0.499302D+01  0.105542D+02
      4  -0.290100D+01 -0.184894D+02  0.759231D+01  0.558456D+01  0.997381D+01
      5   0.350641D+01  0.631812D+01  0.573097D+01  0.441262D+01  0.116923D+02
      6  -0.727214D+01  0.506368D+01 -0.258782D+00 -0.342352D+01 -0.103704D+01
                41            42            43            44            45 
      1  -0.262022D+01  0.403423D+01  0.359134D+01  0.184123D+01 -0.403967D+01
      2   0.689836D+01 -0.463188D+01 -0.129675D+01 -0.991267D+00 -0.709680D+01
      3  -0.427814D+01  0.597651D+00 -0.229459D+01 -0.849960D+00  0.111365D+02
      4  -0.146350D+02 -0.461381D+01  0.806071D+01 -0.510737D+01 -0.695248D+01
      5  -0.270846D+01 -0.833691D+01  0.876847D+01 -0.644212D+01 -0.146351D+02
      6   0.402053D+01  0.605591D+01 -0.334455D+01  0.549419D+01  0.339498D+01
                46            47            48            49            50 
      1   0.117216D+02  0.778522D+01 -0.104221D+02  0.688875D+01 -0.329373D+01
      2  -0.162726D+01 -0.156956D+00  0.352202D+01 -0.184613D+00  0.940073D+01
      3  -0.100943D+02 -0.762826D+01  0.690006D+01 -0.670414D+01 -0.610701D+01
      4   0.626924D+01 -0.138959D+02  0.793493D+01 -0.150863D+02 -0.921395D+00
      5  -0.434405D+01  0.101885D+02 -0.117573D+02  0.878893D+01 -0.180601D+02
      6   0.155867D+02 -0.100381D+02 -0.121367D+01 -0.114745D+02 -0.352932D+01
                51            52            53            54            55 
      1   0.148303D+01 -0.912697D+01  0.141568D+00 -0.821608D+01  0.112178D+02
      2   0.373209D+01  0.256850D+01  0.363676D+01 -0.591135D+01 -0.101585D+02
      3  -0.521512D+01  0.655847D+01 -0.377833D+01  0.141274D+02 -0.105926D+01
      4  -0.116361D+02  0.611920D+01 -0.840762D+01 -0.146260D+01  0.687071D+01
      5  -0.926721D+00 -0.111071D+02 -0.234881D+01  0.998859D+01 -0.243740D+01
      6  -0.134299D+02 -0.662217D+00 -0.972321D+01 -0.277389D+01  0.383006D+01
                56            57            58            59            60 
      1  -0.110475D+02  0.802473D+00 -0.787668D+01 -0.105910D+02 -0.323603D+01
      2   0.182928D+02 -0.316370D+01  0.140942D+02  0.180665D+02  0.556421D+01
      3  -0.724529D+01  0.236123D+01 -0.621757D+01 -0.747556D+01 -0.232818D+01
      4  -0.328735D+01  0.294708D+01  0.297082D+01  0.126406D+02 -0.342749D+01
      5   0.213041D+01  0.245041D+01  0.654534D+00 -0.273469D+01  0.124946D+01
      6  -0.585862D+01  0.906058D+01 -0.536605D+01  0.507111D+01  0.162643D+01
                61            62            63            64            65 
      1   0.305624D+01 -0.736825D+00  0.236726D+01  0.171139D+02  0.653226D+01
      2  -0.379147D+01  0.536960D+01 -0.501380D+01 -0.632473D+01  0.103884D+01
      3   0.735228D+00 -0.463277D+01  0.264655D+01 -0.107892D+02 -0.757109D+01
      4   0.385196D+01 -0.291333D+01  0.770347D+01  0.176965D+02  0.197018D+02
      5   0.303871D+01  0.280130D+01 -0.102219D+01  0.125535D+02  0.861666D+01
      6   0.892216D+01 -0.217522D+01 -0.120986D+02  0.551767D+01  0.429760D+01
                66            67            68            69            70 
      1   0.331644D+01  0.107448D+02 -0.130852D+02 -0.545045D+01  0.674918D+01
      2  -0.329662D+01 -0.393309D+00  0.299143D+02  0.187080D+01 -0.368583D+01
      3  -0.198211D-01 -0.103515D+02 -0.168291D+02  0.357965D+01 -0.306335D+01
      4   0.770702D+01  0.269852D+02  0.397317D+02  0.107913D+02  0.920628D+01
      5   0.147907D+02  0.107799D+02  0.136848D+02  0.150266D+02  0.150295D+02
      6   0.559216D+01  0.623973D+01  0.145285D+02  0.149840D+02  0.588491D+01
                71            72            73            74            75 
      1  -0.259054D+01 -0.530696D+01  0.125035D+01 -0.177414D+00 -0.185488D+00
      2   0.205290D+01 -0.312224D+01 -0.469485D+01  0.333413D+00  0.450010D+00
      3   0.537641D+00  0.842920D+01  0.344450D+01 -0.155999D+00 -0.264522D+00
      4   0.873363D+01  0.119333D+02 -0.650128D+00  0.117663D+01 -0.109880D+01
      5   0.127598D+02  0.167677D+02 -0.130573D+01 -0.426079D+00  0.571439D+01
      6   0.134445D+02  0.111865D+02 -0.127291D+01  0.628134D-01  0.437518D+00
                76            77            78            79            80 
      1   0.798419D+00 -0.382007D+01  0.203215D+00  0.127763D+01  0.277599D+01
      2   0.469258D+00  0.627969D+00 -0.124692D+01  0.775770D+00 -0.124843D+01
      3  -0.126768D+01  0.319210D+01  0.104370D+01 -0.205340D+01 -0.152757D+01
      4   0.257508D+01 -0.191850D+00 -0.148640D+00 -0.667669D-01  0.599792D+00
      5   0.111228D+00 -0.533347D+00 -0.211043D+00  0.552163D+01  0.594079D+00
      6   0.137552D+00 -0.102375D+01  0.647757D+01  0.341098D+00  0.527219D+01
                81            82            83            84            85 
      1  -0.193015D+02 -0.470337D+00 -0.277969D+01 -0.228710D+01 -0.415687D+01
      2  -0.160974D+02  0.339354D+01  0.327406D+01  0.186637D+01  0.401747D+01
      3   0.353989D+02 -0.292321D+01 -0.494370D+00  0.420738D+00  0.139405D+00
      4  -0.190431D+00  0.127854D+00  0.318550D+01  0.101111D+01  0.256695D+01
      5  -0.606661D+00 -0.164326D+01  0.703594D+00  0.104890D+01  0.107990D+01
      6  -0.687889D+01  0.191660D+01  0.986808D+00  0.686722D+00  0.742264D+00
                86            87            88            89            90 
      1  -0.173300D+02 -0.287239D+01 -0.349076D+01 -0.402679D+01 -0.502454D+01
      2   0.277767D+02  0.568088D+01  0.207093D+01  0.454212D+01  0.319050D+01
      3  -0.104467D+02 -0.280849D+01  0.141983D+01 -0.515329D+00  0.183405D+01
      4  -0.108665D+02 -0.284989D+01  0.545998D+00 -0.296069D+01 -0.220943D+01
      5  -0.290332D+01 -0.391468D+01  0.211339D+01 -0.260072D+01 -0.627337D+00
      6   0.870471D+01  0.669084D+01  0.105631D+01  0.793435D+01  0.461488D+01
                91            92            93            94            95 
      1   0.457433D+02  0.553167D+01 -0.115954D+02  0.180363D+02  0.609610D+01
      2  -0.260579D+02 -0.352487D+01  0.791549D+01 -0.100353D+02 -0.286007D+01
      3  -0.196854D+02 -0.200680D+01  0.367987D+01 -0.800100D+01 -0.323602D+01
      4   0.492659D+01  0.624993D+01 -0.120577D+01  0.935290D+01  0.422816D+01
      5  -0.175100D+02 -0.168401D+01  0.104195D+02 -0.815589D+01 -0.364320D+01
      6  -0.286449D+01 -0.104228D+01  0.114939D+01 -0.345564D+01 -0.188334D+01
                96            97            98            99           100 
      1  -0.530330D+01 -0.509554D+01 -0.350712D+00  0.529879D+01 -0.251828D+01
      2   0.346791D+01  0.451941D+01  0.536456D+00 -0.483742D+01  0.806683D+01
      3   0.183540D+01  0.576129D+00 -0.185744D+00 -0.461379D+00 -0.554855D+01
      4  -0.325761D+01 -0.745829D+00 -0.182865D+01  0.742054D+00 -0.884490D+01
      5   0.479058D+01  0.963953D+01  0.124632D+01 -0.673553D+01  0.303011D+01
      6   0.210177D+01  0.762273D+00  0.121128D+01 -0.870034D+00 -0.594026D+01
               101           102           103           104           105 
      1   0.773173D+01 -0.237986D+01  0.618500D+01 -0.133760D+02  0.410531D+01
      2  -0.151243D+02  0.387661D+01 -0.116278D+02  0.242739D+02 -0.684621D+01
      3   0.739261D+01 -0.149675D+01  0.544283D+01 -0.108979D+02  0.274090D+01
      4   0.129210D+02 -0.498110D+01  0.109756D+02 -0.121423D+02  0.415973D+01
      5  -0.296340D+01  0.311528D+01 -0.158234D+01  0.271267D+01 -0.150063D+01
      6   0.753521D+01 -0.596665D+01  0.578616D+01 -0.101887D+02  0.741713D+01
               106           107           108           109           110 
      1  -0.364392D+01  0.635290D+01 -0.527740D+01 -0.118180D+01  0.164188D+01
      2   0.475182D+01 -0.881458D+01  0.496060D+01  0.148283D+01 -0.193204D+01
      3  -0.110790D+01  0.246168D+01  0.316796D+00 -0.301031D+00  0.290154D+00
      4  -0.580872D+01  0.571936D+01 -0.494903D+01  0.224880D+00  0.298819D+01
      5   0.309526D+01 -0.250296D+01  0.253289D+01 -0.930900D+00 -0.899230D-01
      6  -0.627048D+01  0.103193D+02 -0.745074D+01  0.900577D+00 -0.175665D+01
               111           112           113           114           115 
      1   0.143041D+01  0.107287D+01 -0.324646D+01 -0.260881D+01  0.995355D+00
      2  -0.852263D+00 -0.110125D+01  0.442787D+01  0.307215D+01 -0.126291D+01
      3  -0.578146D+00  0.283866D-01 -0.118142D+01 -0.463346D+00  0.267553D+00
      4   0.101626D+01  0.282575D+01 -0.105086D+01 -0.964555D+00  0.319839D+01
      5   0.172505D+01  0.508842D-01 -0.210643D+00 -0.352966D+00  0.152523D+01
      6  -0.333717D+01 -0.111731D+01  0.324905D+01  0.620555D+01 -0.320224D+01
               116           117           118           119           120 
      1  -0.597041D+01 -0.782550D+01  0.222424D+01  0.186487D+01  0.164586D+01
      2   0.739958D+01  0.168670D+01 -0.321904D+01 -0.249633D+01 -0.362167D+01
      3  -0.142917D+01  0.613879D+01  0.994804D+00  0.631461D+00  0.197581D+01
      4  -0.186506D+01 -0.292871D+01  0.326908D+01  0.627828D+01  0.150822D+01
      5  -0.947055D+00 -0.109624D+01  0.594043D+01  0.381914D+01  0.789087D+01
      6   0.795666D+01  0.199447D+02  0.191406D+01  0.484862D+01  0.224400D+01
               121           122           123           124           125 
      1   0.356878D+01 -0.308651D+01 -0.521310D+01  0.104934D+01 -0.295536D+01
      2  -0.421727D+01 -0.118121D+01 -0.693099D+01 -0.261699D+01 -0.404739D+01
      3   0.648497D+00  0.426772D+01  0.121441D+02  0.156765D+01  0.700275D+01
      4   0.615718D+01  0.123608D+02  0.691811D+01  0.833105D+00  0.470880D+01
      5   0.712214D+01  0.102420D+02  0.109784D+02  0.615555D+01  0.576582D+01
      6   0.525215D+01  0.172115D+02  0.103720D+02  0.225173D+01  0.957382D+01
               126           127           128           129           130 
      1  -0.429849D+01 -0.906106D+01 -0.570600D+01  0.127562D+02 -0.455157D+01
      2  -0.527683D+01  0.737703D+00  0.266157D+01  0.224723D+01  0.242137D+01
      3   0.957532D+01  0.832336D+01  0.304443D+01 -0.150034D+02  0.213020D+01
      4   0.439417D+01  0.607060D+01  0.337686D+01 -0.303082D+01  0.421329D+01
      5   0.714441D+01 -0.135415D+02 -0.362368D+01  0.564998D+01 -0.372329D+01
      6   0.713438D+01 -0.711304D+01 -0.603972D+01  0.733719D+01 -0.354004D+01
               131           132           133           134           135 
      1  -0.467094D+01  0.438372D+01  0.861735D+01  0.380642D+01 -0.103228D+02
      2   0.232535D+01 -0.110785D+01  0.128515D+01 -0.873234D+00 -0.319922D+01
      3   0.234559D+01 -0.327587D+01 -0.990251D+01 -0.293319D+01  0.135220D+02
      4   0.139072D+01  0.516936D+00 -0.220264D+01 -0.937639D-02  0.224125D+01
      5  -0.108637D-01  0.953316D+00  0.721290D+01  0.163885D+01 -0.472028D+01
      6  -0.454862D+01  0.697078D+01  0.473151D+01  0.607412D+01 -0.581003D+01
               136           137           138           139           140 
      1   0.117971D+02 -0.429543D+01  0.187200D+01 -0.529031D+01 -0.206082D+01
      2  -0.683763D+01 -0.149546D+00 -0.529813D+01  0.153898D+00  0.609514D+01
      3  -0.495951D+01  0.444497D+01  0.342614D+01  0.513641D+01 -0.403432D+01
      4  -0.160418D+02  0.146552D+02 -0.835442D+01  0.152084D+02 -0.165177D+02
      5   0.185124D+02 -0.116755D+02  0.156384D+02 -0.126439D+02  0.128350D+02
      6  -0.110538D+02  0.112576D+02 -0.848119D+01  0.105232D+02 -0.150030D+02
               141           142           143           144           145 
      1   0.307614D+01  0.139986D+01  0.197964D+01 -0.153894D+01  0.914126D+01
      2   0.680142D+00 -0.379925D+01  0.942905D+00 -0.377049D+01 -0.148758D+01
      3  -0.375629D+01  0.239940D+01 -0.292255D+01  0.530943D+01 -0.765367D+01
      4   0.928093D+01 -0.528560D+01  0.609512D+01 -0.693675D+01  0.733856D+01
      5  -0.107120D+02  0.116163D+02 -0.751425D+01  0.103671D+02  0.200326D+01
      6   0.128853D+02 -0.623582D+01  0.965392D+01 -0.863776D+01 -0.662435D+00
               146           147           148           149           150 
      1   0.694253D+01  0.293564D+01  0.157935D+02  0.846854D+01  0.131511D+00
      2  -0.185023D+01 -0.984968D+00 -0.559208D+01  0.555964D+01  0.175693D+01
      3  -0.509230D+01 -0.195067D+01 -0.102014D+02 -0.140282D+02 -0.188844D+01
      4   0.129201D+02  0.987678D+00  0.176110D+02  0.321892D+02  0.329209D+01
      5   0.120945D+00  0.210520D+01 -0.190572D+01  0.306960D+01  0.822795D+01
      6  -0.157427D+01  0.348076D+00 -0.154616D+01 -0.449472D+01  0.225749D+01
               151           152           153           154           155 
      1   0.759246D+01  0.132117D+01 -0.191541D+00  0.482520D+02 -0.173588D+02
      2  -0.298033D+01  0.718418D+00 -0.110714D+01 -0.200827D+02  0.544239D+01
      3  -0.461212D+01 -0.203958D+01  0.129868D+01 -0.281693D+02  0.119164D+02
      4   0.227954D+01  0.624053D+01  0.432246D+01 -0.239187D+02  0.183232D+02
      5   0.334354D+01  0.483064D+01  0.461899D-01  0.212244D+01 -0.794498D+00
      6   0.115344D+01  0.234230D+01  0.107571D+01  0.168364D+01 -0.183075D+01
               156           157           158           159           160 
      1   0.652953D+01 -0.263365D+02  0.132408D+02 -0.196578D+01  0.157322D+02
      2  -0.209279D+01  0.904000D+01  0.112602D+00 -0.550523D+00 -0.636531D+01
      3  -0.443674D+01  0.172965D+02 -0.133534D+02  0.251630D+01 -0.936692D+01
      4  -0.287609D+01  0.231269D+02 -0.185798D+02  0.404778D+01 -0.694054D+01
      5   0.803447D+01  0.323079D+00  0.232736D+01 -0.732518D+01  0.784025D+01
      6  -0.132473D+01 -0.176282D+01  0.897829D+00  0.239465D+01 -0.151191D+01
               161           162           163           164           165 
      1  -0.390675D+01  0.446448D+01  0.129758D+01 -0.174672D+01 -0.459971D+01
      2   0.585858D+00 -0.352968D+01 -0.302845D+01  0.829956D+00  0.287773D+01
      3   0.332090D+01 -0.934793D+00  0.173088D+01  0.916760D+00  0.172198D+01
      4   0.695257D+01 -0.522215D+01 -0.157577D+01  0.259222D+01  0.203496D+00
      5  -0.464159D+01  0.276819D+01 -0.373437D+01  0.206130D+00  0.697891D+01
      6   0.162218D+01 -0.107317D+01  0.696472D+00 -0.692973D-01  0.256817D+00
               166           167           168           169           170 
      1  -0.267805D+01  0.407048D+00 -0.100189D+01 -0.831211D+01 -0.678485D+00
      2   0.121118D+01 -0.107875D+01  0.189991D+00  0.884783D+01  0.225680D+00
      3   0.146687D+01  0.671703D+00  0.811903D+00 -0.535722D+00  0.452806D+00
      4   0.490509D+01  0.631687D+00 -0.412611D+01  0.643790D+00 -0.575656D+01
      5   0.743327D+00 -0.376350D+01 -0.158842D+01  0.164526D+02 -0.850938D+00
      6  -0.131729D+01  0.975666D+00  0.628638D+01 -0.144583D+01  0.641527D+01
               171 
      1  -0.115358D+02
      2  -0.205278D+02
      3   0.320636D+02
      4  -0.182477D+01
      5  -0.461492D+02
      6   0.532741D+01
 Leave Link  716 at Thu Aug 12 22:39:06 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.860775D+02  0.839368D+00 -0.216578D+01
      2   0.839368D+00  0.754602D+02  0.192904D+01
      3  -0.216578D+01  0.192904D+01  0.730434D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.484004D+00 -0.116371D+01  0.146966D+01
      2   0.557411D+01 -0.706261D+01  0.327086D+02
      3   0.510104D+01 -0.249005D+02  0.785996D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.688712D+02 -0.178463D+02  0.431477D+01
      2  -0.383022D+02  0.193694D+02 -0.103443D+02
      3  -0.305690D+02 -0.152316D+01  0.602954D+01
      4  -0.220975D+02  0.386620D+02 -0.183103D+02
      5   0.101009D+02 -0.211883D+02  0.617774D+02
      6  -0.516036D+01  0.720543D+00 -0.924019D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.156961D+00  0.285583D+01 -0.327848D+01  0.428234D+01 -0.342353D+01
      2   0.285583D+01 -0.280750D+01  0.125141D+00 -0.342353D+01 -0.314050D+01
      3  -0.327848D+01  0.125141D+00  0.651816D+00  0.524019D-01 -0.199030D+01
                 6             7             8             9            10 
      1   0.524019D-01 -0.428814D+01  0.411644D+00 -0.521328D+00  0.191570D+01
      2  -0.199030D+01  0.411644D+00 -0.199025D+01  0.231252D+00 -0.241798D+01
      3   0.554664D+00 -0.521328D+00  0.231252D+00  0.710076D+01  0.381469D+01
                11            12            13            14            15 
      1  -0.241798D+01  0.381469D+01 -0.592550D+01  0.274694D+01  0.683273D-01
      2   0.301891D+01  0.237299D+00  0.274694D+01  0.409938D+01  0.259618D+01
      3   0.237299D+00 -0.378229D+00  0.683273D-01  0.259618D+01  0.591590D+00
                16            17            18            19            20 
      1   0.540796D+01  0.110841D+00  0.203181D+00 -0.325206D+01  0.322752D+01
      2   0.110841D+00  0.260912D+01  0.107440D+01  0.322752D+01 -0.903753D+00
      3   0.203181D+00  0.107440D+01 -0.513235D+01 -0.223557D+01  0.124075D+00
                21            22            23            24            25 
      1  -0.223557D+01  0.619597D+01 -0.333796D+00  0.149816D+00 -0.205112D+01
      2   0.124075D+00 -0.333796D+00 -0.106370D+01 -0.113600D+01  0.424249D+00
      3  -0.530667D+00  0.149816D+00 -0.113600D+01  0.110187D+01 -0.950841D+00
                26            27            28            29            30 
      1   0.424249D+00 -0.950841D+00 -0.684057D+00 -0.133795D+01  0.119438D+01
      2  -0.969448D+00  0.654424D-01 -0.133795D+01  0.871803D+00  0.155917D+01
      3   0.654424D-01  0.601054D+01  0.119438D+01  0.155917D+01  0.688356D+00
                31            32            33            34            35 
      1   0.258779D+01  0.119630D+01  0.143173D+01  0.132561D+01  0.205347D+01
      2   0.119630D+01  0.301302D+01  0.170308D+01  0.205347D+01  0.198939D+01
      3   0.143173D+01  0.170308D+01  0.943768D+00  0.592140D+00  0.105762D+00
                36            37            38            39            40 
      1   0.592140D+00  0.425405D+01  0.290870D+01 -0.806154D+00  0.469775D+01
      2   0.105762D+00  0.290870D+01  0.600608D-01 -0.765920D+00 -0.770314D+00
      3  -0.454740D-01 -0.806154D+00 -0.765920D+00  0.554625D+00 -0.156370D+01
                41            42            43            44            45 
      1  -0.770314D+00 -0.156370D+01  0.374745D+00 -0.116255D+01 -0.672896D+00
      2   0.308611D+01  0.773103D+00 -0.116255D+01  0.498100D+00  0.131169D+01
      3   0.773103D+00  0.155066D+01 -0.672896D+00  0.131169D+01  0.274272D+01
                46            47            48            49            50 
      1   0.140239D+01  0.334747D+01 -0.421861D+01  0.353998D+01 -0.309481D+01
      2   0.334747D+01 -0.293337D+01  0.106053D+00 -0.309481D+01 -0.182384D+01
      3  -0.421861D+01  0.106053D+00  0.375044D+00  0.904905D-01 -0.349878D+01
                51            52            53            54            55 
      1   0.904905D-01 -0.346409D+01 -0.119157D+00  0.281416D+00  0.309783D+01
      2  -0.349878D+01 -0.119157D+00 -0.284390D+01 -0.615151D+00 -0.132008D+01
      3   0.115076D+00  0.281416D+00 -0.615151D+00  0.359140D+01  0.106343D+01
                56            57            58            59            60 
      1  -0.132008D+01  0.106343D+01 -0.101589D+01  0.295071D+01 -0.711565D+00
      2   0.424997D+01 -0.761992D+00  0.295071D+01  0.224864D+01  0.108186D+01
      3  -0.761992D+00  0.205000D+01 -0.711565D+00  0.108186D+01 -0.103343D+01
                61            62            63            64            65 
      1   0.134223D+01 -0.990650D+00  0.208659D+01 -0.348152D+01 -0.302690D+01
      2  -0.990650D+00  0.111876D+01 -0.797337D+00 -0.302690D+01 -0.260396D+01
      3   0.208659D+01 -0.797337D+00 -0.343543D+01 -0.184968D+01 -0.127146D+01
                66            67            68            69            70 
      1  -0.184968D+01 -0.593669D+01 -0.308010D+01 -0.102765D+01 -0.278309D+01
      2  -0.127146D+01 -0.308010D+01 -0.931790D+01 -0.272311D+01 -0.129572D+01
      3  -0.135280D+01 -0.102765D+01 -0.272311D+01 -0.286205D+01 -0.178124D+01
                71            72            73            74            75 
      1  -0.129572D+01 -0.178124D+01  0.630868D+00 -0.400366D+00 -0.883519D+00
      2  -0.257665D+01 -0.279741D+01 -0.400366D+00  0.229904D+00 -0.105555D+00
      3  -0.279741D+01 -0.377522D+01 -0.883519D+00 -0.105555D+00  0.298406D+00
                76            77            78            79            80 
      1  -0.112152D+01  0.160537D+00  0.673829D-02 -0.153820D+01 -0.126385D+00
      2   0.160537D+00  0.515231D+00 -0.103916D+01 -0.126385D+00 -0.142782D+01
      3   0.673829D-02 -0.103916D+01 -0.283321D-01  0.209166D+00  0.504796D+00
                81            82            83            84            85 
      1   0.209166D+00 -0.119425D+01 -0.751179D+00 -0.945617D+00 -0.112408D+01
      2   0.504796D+00 -0.751179D+00 -0.974621D+00 -0.355044D-01 -0.855043D+00
      3  -0.826537D+01 -0.945617D+00 -0.355044D-01 -0.261358D+00 -0.606054D-01
                86            87            88            89            90 
      1  -0.855043D+00 -0.606054D-01 -0.138352D+01 -0.896900D-01 -0.126737D+00
      2  -0.675430D+01 -0.161513D+01 -0.896900D-01 -0.163958D+01 -0.150691D+01
      3  -0.161513D+01 -0.180179D+01 -0.126737D+00 -0.150691D+01 -0.625651D+00
                91            92            93            94            95 
      1  -0.837441D+01 -0.929151D+00  0.247495D+01 -0.368815D+01 -0.141761D+01
      2  -0.929151D+00 -0.133823D+01  0.144650D+00 -0.141761D+01 -0.638113D+00
      3   0.247495D+01  0.144650D+00 -0.175769D+01  0.125838D+01  0.523910D+00
                96            97            98            99           100 
      1   0.125838D+01  0.161397D+01  0.245636D+00 -0.130774D+01 -0.176395D+01
      2   0.523910D+00  0.245636D+00  0.476545D+00 -0.802485D-01  0.237440D+01
      3  -0.819018D+00 -0.130774D+01 -0.802485D-01  0.124223D+01 -0.103832D+01
               101           102           103           104           105 
      1   0.237440D+01 -0.103832D+01  0.211147D+01 -0.259551D+01  0.860998D+00
      2  -0.321719D+01  0.108361D+01 -0.259551D+01  0.498005D+01 -0.147524D+01
      3   0.108361D+01 -0.102655D+01  0.860998D+00 -0.147524D+01  0.127230D+01
               106           107           108           109           110 
      1  -0.163426D+01  0.137324D+01 -0.115058D+01 -0.144259D+00  0.464987D+00
      2   0.137324D+01 -0.249402D+01  0.160287D+01  0.464987D+00 -0.290744D+00
      3  -0.115058D+01  0.160287D+01 -0.143236D+01  0.300135D+00 -0.307890D+00
               111           112           113           114           115 
      1   0.300135D+00  0.348817D+00 -0.191174D+00 -0.298984D+00  0.974590D+00
      2  -0.307890D+00 -0.191174D+00  0.104049D+01  0.880669D+00 -0.508228D+00
      3  -0.702245D+00 -0.298984D+00  0.880669D+00  0.853336D+00 -0.659850D+00
               116           117           118           119           120 
      1  -0.508228D+00 -0.659850D+00  0.904539D+00  0.639986D+00  0.112504D+01
      2   0.208562D+01  0.146860D+01  0.639986D+00  0.124441D+01  0.512306D+00
      3   0.146860D+01  0.519488D+01  0.112504D+01  0.512306D+00  0.994693D+00
               121           122           123           124           125 
      1   0.133921D+01  0.114794D+01  0.830708D+00  0.943855D+00  0.408968D+00
      2   0.114794D+01  0.459921D+01  0.215244D+01  0.408968D+00  0.171090D+01
      3   0.830708D+00  0.215244D+01  0.307819D+01  0.570065D+00  0.153053D+01
               126           127           128           129           130 
      1   0.570065D+00 -0.537142D+01 -0.131222D+01  0.231262D+01 -0.128524D+01
      2   0.153053D+01 -0.131222D+01 -0.112428D+01  0.914791D+00 -0.631686D+00
      3   0.195442D+01  0.231262D+01  0.914791D+00 -0.326555D+01  0.575880D+00
               131           132           133           134           135 
      1  -0.631686D+00  0.575880D+00  0.174120D+01  0.533056D+00 -0.184871D+01
      2  -0.901635D+00  0.120922D+01  0.533056D+00  0.943223D+00 -0.711412D+00
      3   0.120922D+01 -0.106307D+01 -0.184871D+01 -0.711412D+00  0.234248D+01
               136           137           138           139           140 
      1   0.385416D+01 -0.252483D+01  0.232868D+01 -0.281364D+01  0.250270D+01
      2  -0.252483D+01  0.255002D+01 -0.133177D+01  0.250270D+01 -0.339877D+01
      3   0.232868D+01 -0.133177D+01  0.226852D+01 -0.133358D+01  0.221382D+01
               141           142           143           144           145 
      1  -0.133358D+01  0.140815D+01 -0.890751D+00  0.146424D+01  0.123373D+01
      2   0.221382D+01 -0.890751D+00  0.150558D+01 -0.136170D+01  0.127180D+01
      3  -0.222485D+01  0.146424D+01 -0.136170D+01  0.174783D+01  0.477050D+00
               146           147           148           149           150 
      1   0.127180D+01  0.477050D+00  0.297446D+01  0.222648D+01 -0.145971D+00
      2   0.154537D+01  0.679204D-01  0.222648D+01  0.571043D+01  0.576741D+00
      3   0.679204D-01  0.263445D+00 -0.145971D+00  0.576741D+00  0.133597D+01
               151           152           153           154           155 
      1   0.127819D+01  0.309856D+00  0.482824D+00  0.662711D+01 -0.281328D+01
      2   0.309856D+00  0.113869D+01  0.803379D+00 -0.281328D+01  0.220935D+01
      3   0.482824D+00  0.803379D+00 -0.841697D-01  0.913687D+00 -0.339446D+00
               156           157           158           159           160 
      1   0.913687D+00 -0.461867D+01  0.282880D+01 -0.247564D+00  0.275462D+01
      2  -0.339446D+00  0.282880D+01 -0.239586D+01  0.624767D+00 -0.723986D+00
      3   0.101363D+01 -0.247564D+00  0.624767D+00 -0.114225D+01  0.111167D+01
               161           162           163           164           165 
      1  -0.723986D+00  0.111167D+01  0.188604D+00 -0.256771D+00 -0.748705D+00
      2   0.975336D+00 -0.730481D+00 -0.256771D+00  0.213851D+00  0.445277D-01
      3  -0.730481D+00  0.257480D+00 -0.748705D+00  0.445277D-01  0.116565D+00
               166           167           168           169           170 
      1  -0.548401D+00  0.633166D+00  0.641479D-01 -0.202270D+01  0.361605D-01
      2   0.633166D+00  0.142076D+00 -0.858069D+00  0.361605D-01 -0.110961D+01
      3   0.641479D-01 -0.858069D+00 -0.422641D+00  0.201863D+01 -0.980671D-01
               171 
      1   0.201863D+01
      2  -0.980671D-01
      3  -0.938872D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.268001D+01  0.224399D+01  0.954091D-01  0.324357D+01  0.214365D+01
      2  -0.890404D+01  0.281488D+01  0.463463D+00  0.376812D+01 -0.826844D+01
      3  -0.764787D+01  0.548458D+01  0.515803D+00  0.127688D+02  0.104789D+02
                 6             7             8             9            10 
      1  -0.480991D+00  0.689292D+00  0.314943D+01 -0.352580D+00  0.334170D+01
      2   0.129597D+01 -0.868644D+01  0.840976D+00  0.204201D+02  0.760125D+01
      3   0.461944D+01 -0.110316D+01  0.571465D+01 -0.111955D+01  0.320681D+01
                11            12            13            14            15 
      1  -0.555157D+00  0.147803D+00 -0.754948D+00  0.315343D+01 -0.422660D+01
      2  -0.851898D+00  0.432111D+01 -0.414725D+01  0.343319D+01  0.206688D+00
      3  -0.400357D+01 -0.120955D+01  0.157249D+01 -0.890129D+01 -0.408570D+01
                16            17            18            19            20 
      1  -0.386532D+00  0.234490D+01 -0.281364D+01 -0.384459D+01  0.325126D+00
      2  -0.241828D+01  0.122100D+01 -0.518715D+01 -0.677982D+00  0.579239D+00
      3  -0.731756D+00 -0.338249D+01 -0.248959D+00 -0.188056D-01 -0.486317D+01
                21            22            23            24            25 
      1  -0.109951D+01 -0.804731D+00  0.102245D+01  0.192980D+01 -0.553737D+00
      2   0.725835D+00  0.676273D+01 -0.640730D+00  0.135590D+01 -0.644346D+01
      3   0.138147D+01  0.165859D+01  0.563674D+00  0.275109D+01 -0.858411D+00
                26            27            28            29            30 
      1   0.510433D+01 -0.180540D+01  0.884873D+00  0.192583D+00  0.219331D+01
      2  -0.162042D+00 -0.259877D+01 -0.894871D+01 -0.430784D+00 -0.311047D+01
      3   0.161188D+01 -0.148572D+00 -0.568943D+01  0.199399D+01 -0.172875D+01
                31            32            33            34            35 
      1   0.233127D+01 -0.652422D+01  0.109111D+01 -0.199490D+01  0.201059D+01
      2   0.912242D+01 -0.856680D+00 -0.496319D+01 -0.113537D+02 -0.306075D+01
      3   0.460165D+01  0.100671D+02 -0.760562D-01 -0.551475D+01 -0.245946D+01
                36            37            38            39            40 
      1   0.818113D+01  0.917000D+00 -0.822853D-01  0.143497D+01  0.183514D+01
      2   0.368527D+01  0.129587D+01  0.416841D-01  0.219594D+01 -0.728422D+00
      3   0.179473D+01  0.551436D+01 -0.170388D+01 -0.939237D+00  0.448053D+01
                41            42            43            44            45 
      1   0.252414D+01 -0.269082D+01  0.107050D+01  0.343691D+01 -0.175211D+01
      2  -0.329530D+01 -0.320240D+01 -0.120567D+01 -0.294038D+01 -0.722010D+01
      3   0.864499D+01  0.139660D+01  0.223744D+01  0.258317D+01  0.194174D+01
                46            47            48            49            50 
      1   0.336684D+01 -0.558585D+01  0.674382D+00 -0.574477D+01 -0.578644D+01
      2  -0.982544D+01 -0.650791D+01  0.121391D+02 -0.492953D+01  0.729485D+00
      3  -0.590841D+01 -0.257711D+00  0.253212D+01  0.378264D+01  0.481845D+01
                51            52            53            54            55 
      1  -0.105503D+02 -0.339835D-01 -0.434000D+01  0.259917D+01 -0.150965D+01
      2  -0.266471D+00  0.540477D+01 -0.514378D+00  0.321658D+01  0.954513D+00
      3   0.449528D+01  0.235660D+01  0.360519D+01  0.478575D+00  0.762304D+01
                56            57            58            59            60 
      1   0.122375D+01 -0.583864D+01  0.109927D+01 -0.461167D+01 -0.323596D+01
      2   0.129688D+01  0.449482D+01 -0.142419D+01  0.298236D+00  0.135713D-01
      3  -0.995664D+01  0.138431D+01  0.313571D+01  0.690618D+01 -0.290588D+01
                61            62            63            64            65 
      1  -0.403037D+01  0.686140D+01  0.867427D+01  0.157154D+01  0.270101D+01
      2  -0.997968D+00  0.267100D+00 -0.619417D+00  0.701462D+00  0.391583D+00
      3   0.268268D+01 -0.219919D+01  0.521783D+01  0.131897D+01 -0.550527D+01
                66            67            68            69            70 
      1  -0.333927D+01  0.285415D+00  0.514057D+01 -0.744370D+01  0.885680D+00
      2   0.580314D+01 -0.857429D+01  0.257393D+01  0.622789D+01 -0.369902D+00
      3  -0.778154D+00  0.449870D+01 -0.157871D+02 -0.326788D+01  0.108553D+01
                71            72            73            74            75 
      1   0.373005D+01 -0.328296D+01  0.781814D+00 -0.288270D+00  0.167223D-01
      2   0.551153D+01  0.438212D+01  0.110389D+01 -0.239352D+00  0.576567D-01
      3  -0.228694D+01 -0.456830D+01  0.100450D+01 -0.417524D+00 -0.693090D+00
                76            77            78            79            80 
      1  -0.691859D-01 -0.632881D+00 -0.187531D+00  0.800860D-01  0.339223D+01
      2  -0.833985D+00  0.460523D+00  0.149262D-01 -0.375199D+01  0.131376D-01
      3   0.113662D+01  0.715600D-01 -0.485307D+00 -0.466047D+00 -0.469339D+00
                81            82            83            84            85 
      1   0.176621D+01 -0.130198D+01  0.121143D+00 -0.560286D+00 -0.164553D+00
      2   0.812553D+00 -0.201829D+01 -0.292545D+00 -0.355484D-02 -0.866999D+00
      3   0.122157D+00  0.323517D+01  0.112583D+01  0.965743D+00  0.525942D+01
                86            87            88            89            90 
      1   0.117797D+00 -0.355357D+01 -0.222710D+00  0.258436D+00 -0.530535D+00
      2  -0.177537D+01 -0.172378D+01 -0.217897D+01 -0.164094D+01 -0.660183D+00
      3   0.824260D+01  0.218644D+01  0.206478D+01  0.203843D+01  0.196875D+01
                91            92            93            94            95 
      1  -0.172765D+01 -0.139706D+01  0.325300D+00 -0.735549D+00 -0.105813D+01
      2  -0.102008D+01  0.464390D+00  0.425471D+01 -0.111517D+01 -0.487542D+00
      3  -0.440369D+01 -0.476857D+01  0.132393D+01 -0.275655D+01 -0.315124D+01
                96            97            98            99           100 
      1  -0.250057D+00  0.802988D+00  0.560612D+00 -0.444450D+00  0.145522D+01
      2   0.222784D+01  0.830898D+00  0.394343D+00 -0.176648D+01 -0.114276D+01
      3   0.959471D+00  0.161485D+01  0.153509D+01 -0.773850D+00 -0.534118D+01
               101           102           103           104           105 
      1  -0.165890D+01  0.320493D+01 -0.147613D+01  0.156822D+01 -0.332046D+01
      2   0.522318D+00  0.481241D+00  0.717118D+00 -0.650865D+00 -0.378979D+00
      3   0.432337D+01 -0.250619D+01  0.710993D+01 -0.568700D+01  0.263579D+01
               106           107           108           109           110 
      1   0.204419D+01 -0.156800D+01  0.240686D+01 -0.844370D+00  0.794256D+00
      2  -0.146068D+01  0.285905D+00 -0.425367D-01  0.665042D+00  0.209922D+00
      3  -0.430446D+01  0.328168D+01 -0.292487D+01 -0.592210D+00  0.780397D-01
               111           112           113           114           115 
      1   0.194125D+01  0.950091D+00 -0.213817D+01 -0.222580D+01  0.145989D+01
      2  -0.354035D+00  0.180183D+00 -0.126940D+00  0.374120D+00 -0.250518D+01
      3   0.821089D+00  0.883963D+00 -0.684475D+00 -0.853837D+00  0.280692D+01
               116           117           118           119           120 
      1  -0.162317D+01 -0.138001D+02  0.173857D+01  0.276102D+01  0.104859D+01
      2   0.498432D+00  0.873140D+00  0.192546D+00 -0.423629D+00  0.602330D+00
      3  -0.110540D+01 -0.213193D+01 -0.582038D+00 -0.260963D+01 -0.109146D+01
               121           122           123           124           125 
      1   0.212796D+01  0.121547D+02  0.333408D+01  0.129806D+01  0.554479D+01
      2  -0.247928D+01  0.995887D+00  0.328032D+01 -0.213472D+01  0.111549D+01
      3   0.149802D+00 -0.753828D+01 -0.266248D+01 -0.525613D+00 -0.228848D+01
               126           127           128           129           130 
      1   0.346857D+01 -0.547542D+00 -0.241301D+01 -0.142590D+01 -0.942796D+00
      2   0.149158D+01  0.158275D+02  0.334139D+01 -0.541566D+01  0.321079D+01
      3  -0.225616D+01  0.633073D+01  0.330207D+00 -0.229123D+01  0.277581D+01
               131           132           133           134           135 
      1  -0.534843D+00  0.369516D+00 -0.417035D+00  0.243576D+01  0.460015D+00
      2   0.242163D+01 -0.175113D+01 -0.720801D+01 -0.188038D+01  0.505062D+01
      3   0.988115D+00 -0.163226D+01 -0.196306D+01 -0.624137D+00  0.206676D+01
               136           137           138           139           140 
      1  -0.273178D+01  0.451151D+01  0.421272D+00  0.337524D+01 -0.458181D+01
      2  -0.399398D+01  0.252003D+01  0.139774D+01  0.399865D+01 -0.125646D+01
      3  -0.107088D+00 -0.318335D+01  0.395311D+00  0.457005D+00  0.337312D+01
               141           142           143           144           145 
      1   0.223434D+00 -0.764660D+00  0.279690D+01 -0.751604D+00 -0.104307D+01
      2  -0.161878D+01 -0.252131D+01  0.413869D-01  0.215290D+00  0.231021D+01
      3  -0.201693D+01 -0.490674D+00 -0.181317D+01  0.741922D+00 -0.436534D+01
               146           147           148           149           150 
      1  -0.133939D+01 -0.582825D+00 -0.136817D+01 -0.422181D+01 -0.271429D+01
      2   0.110394D+01  0.178538D+01  0.128440D+01  0.391761D+01  0.458844D+01
      3  -0.475695D+01 -0.826522D-01 -0.263425D+01 -0.181671D+02 -0.215413D+01
               151           152           153           154           155 
      1  -0.422245D+00  0.305407D-01 -0.822803D+00  0.215359D+01 -0.144554D+01
      2   0.628503D+00  0.233118D+01  0.476094D+00  0.708033D+01 -0.339252D+01
      3  -0.183659D+00 -0.376396D+01 -0.205414D+01  0.522904D+01 -0.787123D+01
               156           157           158           159           160 
      1   0.138646D+01 -0.175670D+01  0.157804D+01 -0.228769D+01  0.702840D+00
      2   0.579643D+01 -0.358753D+01  0.388894D+01 -0.466959D+01  0.356872D+01
      3   0.974148D+00 -0.528384D+01  0.685974D+01 -0.187583D+01  0.100861D+01
               161           162           163           164           165 
      1  -0.163637D+00  0.948480D+00  0.194980D-01 -0.108926D+00 -0.439739D-01
      2  -0.250662D+01  0.216509D+01 -0.228448D+01 -0.182903D+00  0.889855D+00
      3  -0.330223D+01  0.180669D+01  0.773135D+00 -0.117102D+01  0.616486D-01
               166           167           168           169           170 
      1  -0.347281D+00 -0.277772D+00 -0.305192D+00  0.212958D+00  0.377043D+01
      2  -0.357777D+00 -0.136109D+01 -0.101133D+01 -0.238034D+00 -0.233956D+00
      3  -0.555555D+00 -0.678976D+00  0.188923D+01  0.284191D+00  0.332471D+01
               171 
      1  -0.118379D+01
      2  -0.236109D+02
      3   0.871825D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.629649D+00  0.165679D+02 -0.181450D+02  0.205795D+02 -0.207749D+02
      2  -0.506460D+01 -0.665036D+01  0.807362D+01 -0.998202D+01  0.521201D+01
      3   0.569425D+01 -0.991753D+01  0.100713D+02 -0.105975D+02  0.155629D+02
      4   0.200010D+02 -0.172702D+02  0.247838D+01 -0.248134D+02 -0.148092D+02
      5  -0.186949D+02 -0.706305D+00  0.475396D+01 -0.174205D+01 -0.847501D+01
      6  -0.602953D+00  0.183379D+01 -0.104067D+00  0.165246D+01  0.377688D+01
                 6             7             8             9            10 
      1   0.807364D+00 -0.219735D+02  0.262993D+01  0.101919D+02 -0.891126D+01
      2   0.291942D+00  0.698681D+01 -0.585644D+00  0.972247D+01  0.457157D+00
      3  -0.109931D+01  0.149866D+02 -0.204428D+01 -0.199144D+02  0.845410D+01
      4  -0.998088D+01  0.477645D+01 -0.116365D+02  0.293836D+01 -0.768012D+01
      5   0.177685D+01  0.853966D+00  0.161168D+01  0.315020D+02  0.119276D+02
      6   0.164672D+01  0.503101D+00  0.161447D+01 -0.485422D+01 -0.467082D+01
                11            12            13            14            15 
      1  -0.480678D+01  0.110626D+02 -0.621745D+01  0.139295D+02  0.378969D+01
      2   0.854562D+00 -0.768078D+01  0.289983D+01 -0.171067D+02 -0.651497D+01
      3   0.395222D+01 -0.338184D+01  0.331761D+01  0.317714D+01  0.272528D+01
      4   0.623819D+01 -0.193532D+01  0.151076D+02  0.621616D+01  0.500534D+01
      5   0.115306D+01 -0.107670D+01  0.301314D+01  0.497004D+01  0.181318D+01
      6   0.135687D-02  0.912392D-01  0.674110D+00 -0.805748D+01  0.203705D+01
                16            17            18            19            20 
      1   0.151693D+02  0.277624D+01  0.433048D+01 -0.115513D+02 -0.104869D+01
      2  -0.738125D+01 -0.358390D+01 -0.878565D+00  0.151621D+02  0.702133D+00
      3  -0.778804D+01  0.807657D+00 -0.345192D+01 -0.361074D+01  0.346561D+00
      4  -0.269942D+01  0.494336D+01  0.138274D+01  0.540096D+01  0.188160D+01
      5  -0.129004D+01  0.239562D+01 -0.132599D+02  0.321250D+01 -0.532930D+00
      6  -0.592886D+00 -0.226755D+01  0.235796D+01  0.343634D+01 -0.583637D+00
                21            22            23            24            25 
      1   0.770002D+00 -0.115637D+01  0.399150D+00  0.316947D+01 -0.762541D+01
      2   0.501516D+00  0.131141D+00 -0.403956D+01 -0.176312D+01  0.250837D+01
      3  -0.127152D+01  0.102523D+01  0.364041D+01 -0.140635D+01  0.511704D+01
      4   0.179282D+01 -0.106250D+02  0.185657D+01 -0.727370D-01  0.183364D-01
      5   0.938535D+00  0.145281D+01  0.638516D+00  0.306532D+00  0.108284D+01
      6   0.231420D+00 -0.248263D+00  0.150729D+01 -0.372487D+01 -0.129723D+01
                26            27            28            29            30 
      1   0.127719D+01  0.100799D+02  0.384397D+01  0.956498D+01 -0.138787D+01
      2  -0.461893D+01  0.118682D+02 -0.778451D+01 -0.865289D+01 -0.289528D+01
      3   0.334174D+01 -0.219481D+02  0.394054D+01 -0.912087D+00  0.428316D+01
      4  -0.167564D+01 -0.804880D-01 -0.155820D+00 -0.101674D+02 -0.776020D+01
      5  -0.143689D+01  0.206313D+01 -0.364404D+01 -0.824405D+01 -0.978981D+01
      6   0.105953D+01  0.461200D+01 -0.636511D+01 -0.177167D+01 -0.358412D+01
                31            32            33            34            35 
      1  -0.287896D+01  0.510780D+01  0.118205D+01 -0.451825D+01 -0.497243D+01
      2  -0.271604D+01 -0.138112D+02  0.585747D+01  0.309363D+00 -0.253292D+01
      3   0.559500D+01  0.870339D+01 -0.703952D+01  0.420888D+01  0.750535D+01
      4  -0.179535D+02 -0.206917D+02 -0.510016D+01 -0.157842D+02 -0.183232D+01
      5  -0.160590D+02 -0.743688D+01 -0.102543D+02 -0.481498D+01 -0.351946D+01
      6  -0.230834D+01 -0.928512D+01 -0.621142D+01 -0.204003D+00 -0.361893D+00
                36            37            38            39            40 
      1  -0.254921D+01 -0.145095D+02 -0.140768D+02  0.499355D+01 -0.230847D+02
      2   0.244702D+00  0.968273D+01  0.654827D+01 -0.534767D-03  0.125304D+02
      3   0.230451D+01  0.482674D+01  0.752854D+01 -0.499302D+01  0.105542D+02
      4  -0.290100D+01 -0.184894D+02  0.759231D+01  0.558456D+01  0.997381D+01
      5   0.350641D+01  0.631812D+01  0.573097D+01  0.441262D+01  0.116923D+02
      6  -0.727214D+01  0.506368D+01 -0.258782D+00 -0.342352D+01 -0.103704D+01
                41            42            43            44            45 
      1  -0.262022D+01  0.403423D+01  0.359134D+01  0.184123D+01 -0.403967D+01
      2   0.689836D+01 -0.463188D+01 -0.129675D+01 -0.991267D+00 -0.709680D+01
      3  -0.427814D+01  0.597651D+00 -0.229459D+01 -0.849960D+00  0.111365D+02
      4  -0.146350D+02 -0.461381D+01  0.806071D+01 -0.510737D+01 -0.695248D+01
      5  -0.270846D+01 -0.833691D+01  0.876847D+01 -0.644212D+01 -0.146351D+02
      6   0.402053D+01  0.605591D+01 -0.334455D+01  0.549419D+01  0.339498D+01
                46            47            48            49            50 
      1   0.117216D+02  0.778522D+01 -0.104221D+02  0.688875D+01 -0.329373D+01
      2  -0.162726D+01 -0.156956D+00  0.352202D+01 -0.184613D+00  0.940073D+01
      3  -0.100943D+02 -0.762826D+01  0.690006D+01 -0.670414D+01 -0.610701D+01
      4   0.626924D+01 -0.138959D+02  0.793493D+01 -0.150863D+02 -0.921395D+00
      5  -0.434405D+01  0.101885D+02 -0.117573D+02  0.878893D+01 -0.180601D+02
      6   0.155867D+02 -0.100381D+02 -0.121367D+01 -0.114745D+02 -0.352932D+01
                51            52            53            54            55 
      1   0.148303D+01 -0.912697D+01  0.141568D+00 -0.821608D+01  0.112178D+02
      2   0.373209D+01  0.256850D+01  0.363676D+01 -0.591135D+01 -0.101585D+02
      3  -0.521512D+01  0.655847D+01 -0.377833D+01  0.141274D+02 -0.105926D+01
      4  -0.116361D+02  0.611920D+01 -0.840762D+01 -0.146260D+01  0.687071D+01
      5  -0.926721D+00 -0.111071D+02 -0.234881D+01  0.998859D+01 -0.243740D+01
      6  -0.134299D+02 -0.662217D+00 -0.972321D+01 -0.277389D+01  0.383006D+01
                56            57            58            59            60 
      1  -0.110475D+02  0.802473D+00 -0.787668D+01 -0.105910D+02 -0.323603D+01
      2   0.182928D+02 -0.316370D+01  0.140942D+02  0.180665D+02  0.556421D+01
      3  -0.724529D+01  0.236123D+01 -0.621757D+01 -0.747556D+01 -0.232818D+01
      4  -0.328735D+01  0.294708D+01  0.297082D+01  0.126406D+02 -0.342749D+01
      5   0.213041D+01  0.245041D+01  0.654534D+00 -0.273469D+01  0.124946D+01
      6  -0.585862D+01  0.906058D+01 -0.536605D+01  0.507111D+01  0.162643D+01
                61            62            63            64            65 
      1   0.305624D+01 -0.736825D+00  0.236726D+01  0.171139D+02  0.653226D+01
      2  -0.379147D+01  0.536960D+01 -0.501380D+01 -0.632473D+01  0.103884D+01
      3   0.735228D+00 -0.463277D+01  0.264655D+01 -0.107892D+02 -0.757109D+01
      4   0.385196D+01 -0.291333D+01  0.770347D+01  0.176965D+02  0.197018D+02
      5   0.303871D+01  0.280130D+01 -0.102219D+01  0.125535D+02  0.861666D+01
      6   0.892216D+01 -0.217522D+01 -0.120986D+02  0.551767D+01  0.429760D+01
                66            67            68            69            70 
      1   0.331644D+01  0.107448D+02 -0.130852D+02 -0.545045D+01  0.674918D+01
      2  -0.329662D+01 -0.393309D+00  0.299143D+02  0.187080D+01 -0.368583D+01
      3  -0.198211D-01 -0.103515D+02 -0.168291D+02  0.357965D+01 -0.306335D+01
      4   0.770702D+01  0.269852D+02  0.397317D+02  0.107913D+02  0.920628D+01
      5   0.147907D+02  0.107799D+02  0.136848D+02  0.150266D+02  0.150295D+02
      6   0.559216D+01  0.623973D+01  0.145285D+02  0.149840D+02  0.588491D+01
                71            72            73            74            75 
      1  -0.259054D+01 -0.530696D+01  0.125035D+01 -0.177414D+00 -0.185488D+00
      2   0.205290D+01 -0.312224D+01 -0.469485D+01  0.333413D+00  0.450010D+00
      3   0.537641D+00  0.842920D+01  0.344450D+01 -0.155999D+00 -0.264522D+00
      4   0.873363D+01  0.119333D+02 -0.650128D+00  0.117663D+01 -0.109880D+01
      5   0.127598D+02  0.167677D+02 -0.130573D+01 -0.426079D+00  0.571439D+01
      6   0.134445D+02  0.111865D+02 -0.127291D+01  0.628134D-01  0.437518D+00
                76            77            78            79            80 
      1   0.798419D+00 -0.382007D+01  0.203215D+00  0.127763D+01  0.277599D+01
      2   0.469258D+00  0.627969D+00 -0.124692D+01  0.775770D+00 -0.124843D+01
      3  -0.126768D+01  0.319210D+01  0.104370D+01 -0.205340D+01 -0.152757D+01
      4   0.257508D+01 -0.191850D+00 -0.148640D+00 -0.667669D-01  0.599792D+00
      5   0.111228D+00 -0.533347D+00 -0.211043D+00  0.552163D+01  0.594079D+00
      6   0.137552D+00 -0.102375D+01  0.647757D+01  0.341098D+00  0.527219D+01
                81            82            83            84            85 
      1  -0.193015D+02 -0.470337D+00 -0.277969D+01 -0.228710D+01 -0.415687D+01
      2  -0.160974D+02  0.339354D+01  0.327406D+01  0.186637D+01  0.401747D+01
      3   0.353989D+02 -0.292321D+01 -0.494370D+00  0.420738D+00  0.139405D+00
      4  -0.190431D+00  0.127854D+00  0.318550D+01  0.101111D+01  0.256695D+01
      5  -0.606661D+00 -0.164326D+01  0.703594D+00  0.104890D+01  0.107990D+01
      6  -0.687889D+01  0.191660D+01  0.986808D+00  0.686722D+00  0.742264D+00
                86            87            88            89            90 
      1  -0.173300D+02 -0.287239D+01 -0.349076D+01 -0.402679D+01 -0.502454D+01
      2   0.277767D+02  0.568088D+01  0.207093D+01  0.454212D+01  0.319050D+01
      3  -0.104467D+02 -0.280849D+01  0.141983D+01 -0.515329D+00  0.183405D+01
      4  -0.108665D+02 -0.284989D+01  0.545998D+00 -0.296069D+01 -0.220943D+01
      5  -0.290332D+01 -0.391468D+01  0.211339D+01 -0.260072D+01 -0.627337D+00
      6   0.870471D+01  0.669084D+01  0.105631D+01  0.793435D+01  0.461488D+01
                91            92            93            94            95 
      1   0.457433D+02  0.553167D+01 -0.115954D+02  0.180363D+02  0.609610D+01
      2  -0.260579D+02 -0.352487D+01  0.791549D+01 -0.100353D+02 -0.286007D+01
      3  -0.196854D+02 -0.200680D+01  0.367987D+01 -0.800100D+01 -0.323602D+01
      4   0.492659D+01  0.624993D+01 -0.120577D+01  0.935290D+01  0.422816D+01
      5  -0.175100D+02 -0.168401D+01  0.104195D+02 -0.815589D+01 -0.364320D+01
      6  -0.286449D+01 -0.104228D+01  0.114939D+01 -0.345564D+01 -0.188334D+01
                96            97            98            99           100 
      1  -0.530330D+01 -0.509554D+01 -0.350712D+00  0.529879D+01 -0.251828D+01
      2   0.346791D+01  0.451941D+01  0.536456D+00 -0.483742D+01  0.806683D+01
      3   0.183540D+01  0.576129D+00 -0.185744D+00 -0.461379D+00 -0.554855D+01
      4  -0.325761D+01 -0.745829D+00 -0.182865D+01  0.742054D+00 -0.884490D+01
      5   0.479058D+01  0.963953D+01  0.124632D+01 -0.673553D+01  0.303011D+01
      6   0.210177D+01  0.762273D+00  0.121128D+01 -0.870034D+00 -0.594026D+01
               101           102           103           104           105 
      1   0.773173D+01 -0.237986D+01  0.618500D+01 -0.133760D+02  0.410531D+01
      2  -0.151243D+02  0.387661D+01 -0.116278D+02  0.242739D+02 -0.684621D+01
      3   0.739261D+01 -0.149675D+01  0.544283D+01 -0.108979D+02  0.274090D+01
      4   0.129210D+02 -0.498110D+01  0.109756D+02 -0.121423D+02  0.415973D+01
      5  -0.296340D+01  0.311528D+01 -0.158234D+01  0.271267D+01 -0.150063D+01
      6   0.753521D+01 -0.596665D+01  0.578616D+01 -0.101887D+02  0.741713D+01
               106           107           108           109           110 
      1  -0.364392D+01  0.635290D+01 -0.527740D+01 -0.118180D+01  0.164188D+01
      2   0.475182D+01 -0.881458D+01  0.496060D+01  0.148283D+01 -0.193204D+01
      3  -0.110790D+01  0.246168D+01  0.316796D+00 -0.301031D+00  0.290154D+00
      4  -0.580872D+01  0.571936D+01 -0.494903D+01  0.224880D+00  0.298819D+01
      5   0.309526D+01 -0.250296D+01  0.253289D+01 -0.930900D+00 -0.899230D-01
      6  -0.627048D+01  0.103193D+02 -0.745074D+01  0.900577D+00 -0.175665D+01
               111           112           113           114           115 
      1   0.143041D+01  0.107287D+01 -0.324646D+01 -0.260881D+01  0.995355D+00
      2  -0.852263D+00 -0.110125D+01  0.442787D+01  0.307215D+01 -0.126291D+01
      3  -0.578146D+00  0.283866D-01 -0.118142D+01 -0.463346D+00  0.267553D+00
      4   0.101626D+01  0.282575D+01 -0.105086D+01 -0.964555D+00  0.319839D+01
      5   0.172505D+01  0.508842D-01 -0.210643D+00 -0.352966D+00  0.152523D+01
      6  -0.333717D+01 -0.111731D+01  0.324905D+01  0.620555D+01 -0.320224D+01
               116           117           118           119           120 
      1  -0.597041D+01 -0.782550D+01  0.222424D+01  0.186487D+01  0.164586D+01
      2   0.739958D+01  0.168670D+01 -0.321904D+01 -0.249633D+01 -0.362167D+01
      3  -0.142917D+01  0.613879D+01  0.994804D+00  0.631461D+00  0.197581D+01
      4  -0.186506D+01 -0.292871D+01  0.326908D+01  0.627828D+01  0.150822D+01
      5  -0.947055D+00 -0.109624D+01  0.594043D+01  0.381914D+01  0.789087D+01
      6   0.795666D+01  0.199447D+02  0.191406D+01  0.484862D+01  0.224400D+01
               121           122           123           124           125 
      1   0.356878D+01 -0.308651D+01 -0.521310D+01  0.104934D+01 -0.295536D+01
      2  -0.421727D+01 -0.118121D+01 -0.693099D+01 -0.261699D+01 -0.404739D+01
      3   0.648497D+00  0.426772D+01  0.121441D+02  0.156765D+01  0.700275D+01
      4   0.615718D+01  0.123608D+02  0.691811D+01  0.833105D+00  0.470880D+01
      5   0.712214D+01  0.102420D+02  0.109784D+02  0.615555D+01  0.576582D+01
      6   0.525215D+01  0.172115D+02  0.103720D+02  0.225173D+01  0.957382D+01
               126           127           128           129           130 
      1  -0.429849D+01 -0.906106D+01 -0.570600D+01  0.127562D+02 -0.455157D+01
      2  -0.527683D+01  0.737703D+00  0.266157D+01  0.224723D+01  0.242137D+01
      3   0.957532D+01  0.832336D+01  0.304443D+01 -0.150034D+02  0.213020D+01
      4   0.439417D+01  0.607060D+01  0.337686D+01 -0.303082D+01  0.421329D+01
      5   0.714441D+01 -0.135415D+02 -0.362368D+01  0.564998D+01 -0.372329D+01
      6   0.713438D+01 -0.711304D+01 -0.603972D+01  0.733719D+01 -0.354004D+01
               131           132           133           134           135 
      1  -0.467094D+01  0.438372D+01  0.861735D+01  0.380642D+01 -0.103228D+02
      2   0.232535D+01 -0.110785D+01  0.128515D+01 -0.873234D+00 -0.319922D+01
      3   0.234559D+01 -0.327587D+01 -0.990251D+01 -0.293319D+01  0.135220D+02
      4   0.139072D+01  0.516936D+00 -0.220264D+01 -0.937639D-02  0.224125D+01
      5  -0.108637D-01  0.953316D+00  0.721290D+01  0.163885D+01 -0.472028D+01
      6  -0.454862D+01  0.697078D+01  0.473151D+01  0.607412D+01 -0.581003D+01
               136           137           138           139           140 
      1   0.117971D+02 -0.429543D+01  0.187200D+01 -0.529031D+01 -0.206082D+01
      2  -0.683763D+01 -0.149546D+00 -0.529813D+01  0.153898D+00  0.609514D+01
      3  -0.495951D+01  0.444497D+01  0.342614D+01  0.513641D+01 -0.403432D+01
      4  -0.160418D+02  0.146552D+02 -0.835442D+01  0.152084D+02 -0.165177D+02
      5   0.185124D+02 -0.116755D+02  0.156384D+02 -0.126439D+02  0.128350D+02
      6  -0.110538D+02  0.112576D+02 -0.848119D+01  0.105232D+02 -0.150030D+02
               141           142           143           144           145 
      1   0.307614D+01  0.139986D+01  0.197964D+01 -0.153894D+01  0.914126D+01
      2   0.680142D+00 -0.379925D+01  0.942905D+00 -0.377049D+01 -0.148758D+01
      3  -0.375629D+01  0.239940D+01 -0.292255D+01  0.530943D+01 -0.765367D+01
      4   0.928093D+01 -0.528560D+01  0.609512D+01 -0.693675D+01  0.733856D+01
      5  -0.107120D+02  0.116163D+02 -0.751425D+01  0.103671D+02  0.200326D+01
      6   0.128853D+02 -0.623582D+01  0.965392D+01 -0.863776D+01 -0.662435D+00
               146           147           148           149           150 
      1   0.694253D+01  0.293564D+01  0.157935D+02  0.846854D+01  0.131511D+00
      2  -0.185023D+01 -0.984968D+00 -0.559208D+01  0.555964D+01  0.175693D+01
      3  -0.509230D+01 -0.195067D+01 -0.102014D+02 -0.140282D+02 -0.188844D+01
      4   0.129201D+02  0.987678D+00  0.176110D+02  0.321892D+02  0.329209D+01
      5   0.120945D+00  0.210520D+01 -0.190572D+01  0.306960D+01  0.822795D+01
      6  -0.157427D+01  0.348076D+00 -0.154616D+01 -0.449472D+01  0.225749D+01
               151           152           153           154           155 
      1   0.759246D+01  0.132117D+01 -0.191541D+00  0.482520D+02 -0.173588D+02
      2  -0.298033D+01  0.718418D+00 -0.110714D+01 -0.200827D+02  0.544239D+01
      3  -0.461212D+01 -0.203958D+01  0.129868D+01 -0.281693D+02  0.119164D+02
      4   0.227954D+01  0.624053D+01  0.432246D+01 -0.239187D+02  0.183232D+02
      5   0.334354D+01  0.483064D+01  0.461899D-01  0.212244D+01 -0.794498D+00
      6   0.115344D+01  0.234230D+01  0.107571D+01  0.168364D+01 -0.183075D+01
               156           157           158           159           160 
      1   0.652953D+01 -0.263365D+02  0.132408D+02 -0.196578D+01  0.157322D+02
      2  -0.209279D+01  0.904000D+01  0.112602D+00 -0.550523D+00 -0.636531D+01
      3  -0.443674D+01  0.172965D+02 -0.133534D+02  0.251630D+01 -0.936692D+01
      4  -0.287609D+01  0.231269D+02 -0.185798D+02  0.404778D+01 -0.694054D+01
      5   0.803447D+01  0.323079D+00  0.232736D+01 -0.732518D+01  0.784025D+01
      6  -0.132473D+01 -0.176282D+01  0.897829D+00  0.239465D+01 -0.151191D+01
               161           162           163           164           165 
      1  -0.390675D+01  0.446448D+01  0.129758D+01 -0.174672D+01 -0.459971D+01
      2   0.585858D+00 -0.352968D+01 -0.302845D+01  0.829956D+00  0.287773D+01
      3   0.332090D+01 -0.934793D+00  0.173088D+01  0.916760D+00  0.172198D+01
      4   0.695257D+01 -0.522215D+01 -0.157577D+01  0.259222D+01  0.203496D+00
      5  -0.464159D+01  0.276819D+01 -0.373437D+01  0.206130D+00  0.697891D+01
      6   0.162218D+01 -0.107317D+01  0.696472D+00 -0.692973D-01  0.256817D+00
               166           167           168           169           170 
      1  -0.267805D+01  0.407048D+00 -0.100189D+01 -0.831211D+01 -0.678485D+00
      2   0.121118D+01 -0.107875D+01  0.189991D+00  0.884783D+01  0.225680D+00
      3   0.146687D+01  0.671703D+00  0.811903D+00 -0.535722D+00  0.452806D+00
      4   0.490509D+01  0.631687D+00 -0.412611D+01  0.643790D+00 -0.575656D+01
      5   0.743327D+00 -0.376350D+01 -0.158842D+01  0.164526D+02 -0.850938D+00
      6  -0.131729D+01  0.975666D+00  0.628638D+01 -0.144583D+01  0.641527D+01
               171 
      1  -0.115358D+02
      2  -0.205278D+02
      3   0.320636D+02
      4  -0.182477D+01
      5  -0.461492D+02
      6   0.532741D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.781937D+02      0.115871D+02      0.128924D+02
   aniso      0.130987D+02      0.194103D+01      0.215968D+01
   xx         0.860775D+02      0.127554D+02      0.141923D+02
   yx         0.839368D+00      0.124381D+00      0.138393D+00
   yy         0.754602D+02      0.111821D+02      0.124417D+02
   zx        -0.216578D+01     -0.320936D+00     -0.357089D+00
   zy         0.192904D+01      0.285854D+00      0.318055D+00
   zz         0.730434D+02      0.108239D+02      0.120432D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.781937D+02      0.115871D+02      0.128924D+02
   aniso      0.130987D+02      0.194103D+01      0.215968D+01
   xx         0.834588D+02      0.123673D+02      0.137605D+02
   yx         0.409306D+01      0.606528D+00      0.674854D+00
   yy         0.732150D+02      0.108493D+02      0.120715D+02
   zx        -0.374850D+01     -0.555470D+00     -0.618044D+00
   zy        -0.303478D+00     -0.449708D-01     -0.500368D-01
   zz         0.779073D+02      0.115447D+02      0.128452D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-34\Freq\RwB97XD\Gen\C5H11N1O2\PIERPA\12-Aug-2021\0\\#
 P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA 
 Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.457159,-
 0.146332,-0.647837\C,1.109574,-0.543619,-0.050687\C,-0.012989,0.384911
 ,-0.578811\C,-1.363704,-0.252903,-0.259735\O,-2.091645,0.444358,0.6454
 21\C,1.162885,-0.565114,1.477637\N,0.173654,1.758943,-0.144286\O,-1.75
 8233,-1.282971,-0.742079\H,0.050109,0.366136,-1.669549\H,0.854606,-1.5
 47323,-0.399183\H,-2.90979,-0.057734,0.787298\H,-0.455006,2.381115,-0.
 636018\H,-0.032228,1.857361,0.841913\H,1.451195,0.409891,1.876513\H,0.
 203705,-0.845376,1.91808\H,1.905982,-1.287391,1.818568\H,2.716265,0.87
 5135,-0.368973\H,3.243945,-0.813424,-0.290625\H,2.437115,-0.203744,-1.
 73816\\Version=ES64L-G16RevA.03\State=1-A\HF=-402.5693911\RMSD=5.036e-
 09\RMSF=3.613e-06\ZeroPoint=0.1643012\Thermal=0.1738437\Dipole=-0.2151
 793,0.4456332,0.4105802\DipoleDeriv=-0.0119189,-0.0412928,0.0236683,0.
 0364957,0.0846448,0.0087494,0.003443,0.0203926,0.0682218,0.1805674,-0.
 0127442,-0.0139547,-0.1409625,0.0335961,-0.0200527,0.0311854,-0.002433
 7,0.1581546,-0.0021233,-0.016115,0.0138641,0.0828555,0.5380976,0.03055
 93,0.0394371,0.1360585,0.1322007,1.1599196,0.074856,-0.2606026,0.16948
 56,1.0184522,0.624363,-0.4202122,0.5883482,0.8284562,-0.7577909,0.3195
 641,0.3671381,0.1907348,-0.546393,-0.255517,0.3427522,-0.3426479,-0.70
 85166,0.0307539,0.0265155,0.010424,0.0399563,0.0967455,0.040303,-0.002
 7894,0.0059756,-0.03458,-0.4917309,-0.1595385,0.0241554,-0.1087664,-0.
 6697103,-0.034629,0.0089589,-0.0546257,-0.2279928,-0.7333782,-0.337538
 5,-0.1009083,-0.1931893,-0.9216572,-0.3604083,0.0551708,-0.2437976,-0.
 5560754,0.0473379,-0.0249232,-0.0038643,-0.0247043,0.001151,0.006149,-
 0.0093071,-0.015899,-0.1000012,0.0172639,-0.0371505,-0.0106001,-0.0286
 339,-0.0940189,-0.0350009,-0.00612,-0.0358739,-0.0146924,0.2985863,-0.
 0557083,-0.0166851,-0.101609,0.2251699,-0.0091652,-0.0260651,-0.027576
 5,0.315777,0.1192222,0.163453,-0.0899902,0.062464,0.1627802,-0.0237329
 ,-0.0586074,-0.0327855,0.1427728,0.2478833,0.0527209,0.0842335,0.01054
 87,0.1681636,0.0388626,0.0437753,-0.0047043,0.065705,0.0513678,-0.0416
 772,-0.0167369,-0.0561641,-0.0976584,-0.0952528,0.0014152,-0.0294632,0
 .018589,-0.102903,-0.0567095,0.1000535,-0.0510865,0.0518989,0.0120867,
 0.0712249,0.0101361,-0.0080519,-0.0423098,0.1025641,-0.0743375,0.10150
 7,-0.0237517,0.0593573,-0.0446443,0.0285916,0.0203766,0.0588667,-0.019
 6481,0.0111674,-0.0875378,-0.070107,-0.0283546,-0.0115572,-0.0610873,0
 .0370797,-0.1028281,0.0769969,-0.0245764,0.1107349,-0.021131,0.0450749
 ,-0.0546306,0.0617219,0.0371778,0.0332141,-0.0136249,-0.0224483,-0.012
 1288,0.0637276,-0.0033917,0.0365705,-0.0003299,-0.174601\Polar=82.1626
 208,0.1974992,71.4152288,-2.3072927,1.729014,69.6613793\Quadrupole=1.5
 132044,-2.225679,0.7124746,-3.954364,-1.8728416,-1.9305477\PG=C01 [X(C
 5H11N1O2)]\NImag=0\\0.48570732,-0.02631426,0.56378965,0.03815268,0.009
 54315,0.55683646,-0.15644558,-0.02739791,0.03535466,0.46899901,-0.0275
 5163,-0.08855738,0.01044308,0.04875212,0.56211795,0.03526874,0.0102583
 7,-0.09238394,0.00602518,0.04454660,0.47771520,-0.03344118,0.02167394,
 -0.00925829,-0.10788020,0.01597665,-0.01670620,0.41246515,-0.00064911,
 0.00630526,-0.00369273,0.03215922,-0.09459340,0.01517490,0.00570432,0.
 47673829,0.00616185,-0.00576826,0.00328711,-0.02311419,0.01100959,-0.0
 8323598,-0.01860648,0.03105119,0.60053755,-0.00091080,0.00017597,-0.00
 063501,-0.03776335,0.00574999,0.00354811,-0.13898694,-0.03125863,0.014
 58933,0.56478068,0.00413470,-0.00624704,0.00283819,0.01059086,0.018599
 71,-0.00900019,-0.00956592,-0.08576054,0.01540352,0.20420495,0.7614835
 5,-0.00140698,0.00235857,-0.00255712,-0.01098614,-0.00838256,0.0066380
 9,0.01445609,0.02181906,-0.09297247,-0.04586578,0.24617122,0.42300767,
 -0.00103866,0.00113070,-0.00105223,-0.00025210,-0.00291559,0.00228204,
 -0.01800516,0.01697560,0.02997162,-0.16393828,0.02153390,0.07494822,0.
 50115542,-0.00045043,0.00069399,-0.00023280,-0.00130028,-0.00117928,0.
 00099805,-0.00693562,0.00656784,0.00116622,0.00691922,-0.12601963,-0.0
 4780059,0.16624071,0.33320015,0.00068705,-0.00109251,0.00134443,0.0000
 1443,0.00302787,-0.00371407,0.01470172,-0.01260221,-0.00284022,0.06339
 345,-0.05823179,-0.13785094,-0.15881646,0.10333708,0.20478231,-0.00081
 905,-0.00019219,0.03347633,-0.07919944,-0.00128267,-0.00496010,-0.0035
 3614,0.00115225,-0.02629269,0.00224941,0.00131454,-0.00355536,-0.00040
 159,-0.00023018,0.00095306,0.57372224,-0.00080328,0.00032975,0.0105144
 3,-0.00112964,-0.08050593,-0.00273816,0.00320806,-0.00052623,0.0227285
 6,-0.00159420,-0.00193784,-0.00107781,0.00060980,-0.00003158,0.0011187
 7,-0.00101591,0.56425588,0.00630280,0.00093026,-0.02083081,-0.00225228
 ,-0.00278852,-0.17770412,-0.00624668,0.00646704,-0.01582203,-0.0010495
 7,-0.00048632,0.00235154,0.00005597,0.00021720,-0.00134238,-0.00636188
 ,-0.00049618,0.45957217,-0.00132265,-0.00046241,0.00001228,0.00445342,
 0.02315778,0.00666108,-0.06395372,0.01305449,-0.00282976,0.00021036,-0
 .02572561,-0.00739033,-0.00412297,-0.00292089,0.00035050,-0.00024186,-
 0.00108356,-0.00057708,0.28388385,-0.00086743,-0.00007153,0.00021981,0
 .00141373,-0.03261826,-0.00639949,-0.03199949,-0.19562389,-0.02778555,
 -0.00459927,-0.02855257,-0.00835643,-0.00186257,0.00223318,0.00128472,
 -0.00014449,0.00054473,-0.00086537,-0.16124896,0.50796628,0.00058996,-
 0.00059250,0.00048090,0.00323808,0.01289642,0.00578711,-0.02067094,-0.
 04026871,-0.11479699,-0.00142529,-0.00012237,0.00189392,0.00027916,0.0
 0234778,0.00025565,0.00058371,0.00062532,0.00044925,0.06110117,-0.0228
 2618,0.66023090,0.00020144,0.00024227,-0.00088035,0.00110184,-0.001383
 62,0.00040315,-0.00061044,-0.03111695,-0.01095763,-0.18973668,-0.19128
 825,-0.06688962,0.03401758,0.02436422,0.01394868,-0.00084585,-0.000205
 73,0.00047479,-0.00858417,-0.00792689,0.00024706,0.16126413,-0.0008647
 6,0.00269729,-0.00066625,0.00223766,-0.00798576,0.00177267,-0.01921321
 ,-0.01381772,-0.01630803,-0.20378963,-0.54790277,-0.20956723,0.0180375
 6,-0.05318878,-0.06701267,-0.00087157,0.00122348,0.00014408,-0.0074622
 6,-0.00443362,0.00104452,0.21173940,0.62609886,0.00024133,-0.00011246,
 0.00023123,0.00245017,0.00024430,-0.00021606,0.00135096,-0.00597957,0.
 01356135,-0.07441636,-0.21416945,-0.18132445,0.00856100,-0.07085686,-0
 .02510405,0.00063370,0.00032655,-0.00044364,-0.00090695,-0.00011474,0.
 00213386,0.07227629,0.28835216,0.18824351,0.00081292,-0.00046049,-0.00
 162118,-0.00119106,0.00170929,-0.02526007,-0.04498857,-0.00399860,0.02
 041162,-0.00429473,-0.00333616,0.03385056,-0.00506863,-0.00127693,0.00
 049883,-0.00343900,0.00335373,-0.00054102,0.00062689,-0.00013171,-0.00
 561356,0.00000447,0.00187251,-0.00297164,0.05695403,-0.00107009,0.0007
 2913,-0.00012843,0.00112540,-0.00143559,0.02062387,-0.00418956,-0.0463
 3601,0.00404208,0.00130484,0.00121114,0.01168531,-0.00173043,-0.000351
 85,0.00052063,0.00311237,-0.00215791,0.00037297,0.00060711,-0.00775784
 ,-0.03864056,-0.00092399,-0.00047038,-0.00106910,0.00224518,0.06061946
 ,0.00139861,-0.00090012,0.00082438,-0.00140081,0.00237428,-0.01378136,
 0.01894404,-0.00194378,-0.30150125,0.00190140,-0.00072452,-0.01157022,
 0.00108632,0.00134585,0.00035778,-0.00174355,0.00197997,0.00119178,-0.
 00039407,-0.00435595,-0.01002146,-0.00044764,-0.00015415,0.00257935,-0
 .01939323,0.00453373,0.32897202,-0.00973247,-0.02907053,-0.00766449,-0
 .06093900,-0.05545482,-0.01929081,0.00337963,0.02212143,0.00767411,-0.
 00013061,0.00324351,0.00174701,0.00006721,-0.00052563,-0.00060535,-0.0
 0020783,-0.00075231,-0.00081533,-0.00340318,0.00335709,-0.00267074,-0.
 00060407,-0.00106879,-0.00028297,0.00093299,-0.00049538,0.00007362,0.0
 7300325,-0.00282309,-0.00708965,-0.00156427,-0.05112979,-0.26380974,-0
 .07404640,-0.00314742,-0.02056547,-0.00676314,-0.00119889,-0.00333461,
 -0.00159284,-0.00003360,0.00070913,0.00048484,0.00056451,0.00181095,0.
 00006868,0.00323202,-0.00203705,0.00297375,-0.00129651,0.00247725,0.00
 065669,-0.00041465,0.00044499,0.00032692,0.05694250,0.28820729,0.00401
 678,0.01339385,0.00377676,-0.01852162,-0.07503477,-0.07384055,0.002731
 05,0.00978029,0.00267639,0.00003551,-0.00083481,0.00033148,0.00000898,
 0.00001273,0.00017281,-0.00798823,-0.03164285,-0.01529459,-0.00170986,
 0.00180831,-0.00022002,-0.00017862,0.00060513,-0.00033205,0.00068047,0
 .00010009,0.00044835,0.01970926,0.07907194,0.08554729,-0.00006358,0.00
 013423,-0.00007545,-0.00015600,0.00001559,0.00025743,0.00209940,0.0016
 5780,0.00427032,-0.03624626,-0.01215391,0.01537147,-0.33965069,-0.1847
 4171,0.06477151,-0.00013424,-0.00008679,0.00008666,0.00164022,0.001153
 24,-0.00027120,0.00416270,-0.00295489,-0.00804571,-0.00126554,-0.00022
 900,0.00025915,-0.00009338,0.00010220,0.00001828,0.36972984,-0.0000050
 2,0.00014578,-0.00007091,-0.00043498,-0.00021421,0.00022946,0.00006792
 ,-0.00107349,-0.00491040,0.02235559,0.01933407,-0.00287444,-0.21721715
 ,-0.16359349,0.02868593,0.00013116,-0.00007389,-0.00003257,-0.00119865
 ,0.00015187,0.00060006,-0.00239514,-0.00579612,0.00173463,0.00090868,0
 .00040255,-0.00017689,0.00009850,-0.00002161,-0.00001025,0.19733981,0.
 15030755,0.00022385,-0.00043728,0.00017517,0.00116431,0.00080836,-0.00
 079413,0.00270193,-0.00509165,0.00095188,0.03846780,0.01789030,-0.0059
 8403,0.04224089,0.00884208,-0.03745901,-0.00020988,-0.00000749,-0.0000
 5444,-0.00134917,-0.00079184,0.00038483,-0.00769245,0.00187201,-0.0003
 1385,0.00004949,-0.00006175,-0.00019589,-0.00001319,-0.00008889,-0.000
 02237,-0.07613874,-0.02358085,0.04296035,0.00033212,0.00024785,-0.0002
 3519,0.00005903,0.00082961,0.00055967,-0.00160918,-0.01157787,0.003719
 29,0.00219184,-0.00241917,0.00000826,-0.00054487,0.00024200,0.00012574
 ,0.00007356,-0.00013092,0.00019986,-0.17494644,0.17669757,-0.14300378,
 -0.00045737,0.00044598,-0.00014447,0.00022289,0.00031786,0.00016303,-0
 .00018129,0.00028068,-0.00023270,-0.00013212,0.00012327,-0.00001291,0.
 17322426,-0.00053792,0.00021781,0.00006942,-0.00310732,-0.00524711,-0.
 00332820,0.02379812,-0.02514985,0.01792198,0.00134947,-0.00166867,-0.0
 0000028,-0.00021934,0.00077323,0.00032182,-0.00054234,0.00032746,-0.00
 078815,0.13767210,-0.17928199,0.09950005,0.00016756,0.00096437,0.00003
 336,0.00025682,0.00143032,-0.00046313,0.00147723,-0.00104355,0.0006340
 9,-0.00029719,0.00023491,0.00012013,-0.15856634,0.20507651,-0.00024029
 ,-0.00013628,0.00020562,-0.00071589,-0.00320843,-0.00087170,0.00953058
 ,-0.00918895,0.00720187,-0.00047394,0.00089154,0.00071924,0.00015490,-
 0.00069196,-0.00007648,-0.00040441,-0.00018764,-0.00030396,-0.11218684
 ,0.10035063,-0.14423010,-0.00036584,-0.00083979,-0.00057979,0.00055820
 ,-0.00017189,0.00050617,0.00057820,-0.00078396,0.00037774,0.00015610,-
 0.00019656,0.00001324,0.13036606,-0.11227308,0.15658494,-0.00039313,0.
 00038118,-0.00016646,0.00050281,0.00029940,0.00176884,-0.00362849,-0.0
 0696766,-0.00769444,0.00192865,-0.00126309,-0.00410229,-0.00102494,-0.
 00000927,0.00053422,0.00108680,0.00105445,0.00057460,-0.03569383,0.025
 67418,0.10744322,0.00016203,0.00138738,0.00138471,0.00062551,-0.000518
 87,-0.00006828,-0.00006652,-0.00005717,-0.00037892,-0.00004100,0.00027
 752,0.00046093,0.00129494,-0.00188042,-0.02736142,0.03689857,0.0000284
 6,-0.00002253,0.00007189,-0.00007737,0.00048113,-0.00086453,0.00700819
 ,-0.00468475,-0.04113069,0.00053988,-0.00043565,-0.00287282,-0.0005588
 6,0.00013723,0.00081923,0.00004913,-0.00017236,0.00011488,0.01772621,-
 0.06017512,-0.01832672,0.00005866,0.00065263,0.00098534,-0.00087206,-0
 .00650271,-0.00170215,-0.00007797,0.00011227,0.00034780,-0.00010226,0.
 00018118,0.00043976,-0.00673785,0.00276093,0.02581544,-0.01751459,0.06
 782403,-0.00014156,-0.00000305,-0.00013438,0.00000522,-0.00016593,0.00
 019451,0.00433158,-0.00207778,-0.01182908,0.00052649,-0.00021106,-0.00
 054098,0.00097445,0.00133705,0.00017110,-0.00015244,0.00006055,-0.0001
 0564,0.05799163,-0.03214408,-0.40357869,0.00052833,0.00094550,0.000687
 33,-0.00032290,-0.00217521,0.00155600,0.00001846,0.00002807,-0.0001014
 9,-0.00024620,0.00041101,0.00031874,0.00820773,-0.00208702,-0.01993591
 ,-0.07117241,0.03487694,0.43343408,0.00039485,0.00100154,0.00035212,-0
 .00138404,-0.00118673,-0.00093176,0.00003338,-0.00130829,-0.00034585,0
 .00006794,-0.00084661,-0.00011109,-0.00008242,0.00030326,0.00018331,-0
 .06622317,-0.06124961,-0.02356026,0.00012455,0.00012896,0.00007185,0.0
 0009880,0.00055432,0.00001004,0.00009156,0.00018627,0.00007283,0.00070
 314,0.00023847,-0.00008571,0.00007653,-0.00005181,0.00005797,0.0000318
 1,0.00011417,0.00027377,-0.00097588,0.00091693,-0.00072897,0.06705154,
 0.00002349,0.00066249,0.00028790,-0.00030448,0.00085722,-0.00118312,0.
 00043071,-0.00075869,-0.00033502,0.00036251,-0.00027157,-0.00038732,-0
 .00017270,0.00017681,0.00021645,-0.06125050,-0.25490325,-0.08181514,0.
 00109494,-0.00036314,0.00016873,-0.00013420,0.00018409,0.00008096,-0.0
 0013517,0.00008432,-0.00012520,0.00020608,0.00141998,0.00041098,0.0000
 4452,-0.00003056,-0.00000419,-0.00013292,0.00019489,0.00039576,0.00016
 192,-0.00009093,0.00104252,0.06683695,0.27839010,-0.00104287,-0.000778
 95,0.00185102,-0.00880267,-0.03228208,-0.01326630,0.00020812,-0.001631
 17,0.00067280,0.00019398,-0.00028626,-0.00063364,-0.00008823,0.0001212
 1,0.00024477,-0.02293830,-0.08048843,-0.07843774,0.00013066,0.00049012
 ,0.00083042,-0.00009095,0.00037447,0.00027653,0.00023010,0.00012097,0.
 00017250,-0.00009578,0.00093602,-0.00672037,-0.00001467,0.00001483,0.0
 0001000,0.00028777,0.00024890,0.00027643,-0.00127237,0.00080536,-0.000
 20114,0.02700481,0.09055463,0.08734793,0.00086658,0.00046402,0.0001677
 3,0.00239722,0.00139510,-0.00129207,0.00063293,0.00030014,0.00007898,-
 0.00037301,-0.00038086,0.00030742,-0.00058814,0.00030784,-0.00073341,-
 0.24942175,-0.05968410,0.08907624,0.00017550,-0.00018678,-0.00000382,0
 .00014966,0.00033918,-0.00016017,0.00010938,-0.00005878,0.00008665,0.0
 0021059,0.00021198,0.00057936,-0.00007249,0.00002917,-0.00007187,0.000
 05413,0.00000476,0.00001355,-0.00019085,-0.00015594,0.00007594,-0.0068
 3530,-0.00137119,0.00217298,0.27150360,0.00034249,0.00056907,0.0002991
 1,0.00056264,-0.00162571,0.00028964,-0.00080220,0.00019797,0.00020615,
 -0.00027155,0.00122692,0.00149380,0.00025843,-0.00025695,-0.00100071,-
 0.05909453,-0.06516719,0.02560558,0.00025596,-0.00009472,0.00015264,0.
 00009437,-0.00069459,-0.00021527,0.00005405,0.00000164,-0.00006726,0.0
 0044226,0.00020141,0.00016505,0.00011455,0.00004866,-0.00000359,0.0001
 5585,-0.00000293,-0.00005399,-0.00032742,-0.00046083,0.00015086,-0.026
 11069,-0.00636183,0.01202970,0.06531893,0.06524802,-0.00227685,-0.0006
 1734,-0.00679665,0.03090824,0.00927212,-0.01146287,0.00089360,0.000048
 49,0.00153026,-0.00052562,0.00090575,-0.00160194,-0.00018604,-0.000188
 04,0.00050907,0.08769007,0.02559227,-0.08733215,-0.00034825,0.00005922
 ,0.00002882,-0.00015881,-0.00038793,0.00031150,0.00009184,-0.00043357,
 0.00020087,-0.00011639,-0.00050074,0.00121821,-0.00025358,0.00006908,0
 .00007912,-0.00002491,0.00010060,0.00001630,0.00011657,0.00023887,-0.0
 0005334,-0.01092954,-0.00168332,0.00432698,-0.09799514,-0.02933873,0.0
 9614018,0.00057048,-0.00048275,0.00062208,-0.00214339,0.00034561,-0.00
 064149,0.00096878,-0.00094686,-0.00038852,0.00038478,0.00050558,0.0009
 6541,-0.00009949,-0.00004728,-0.00056566,-0.16913837,0.12003750,-0.053
 88831,0.00026577,-0.00005989,0.00010808,-0.00005832,-0.00031082,-0.000
 11826,-0.00004780,0.00029134,-0.00016086,-0.00000158,-0.00020251,-0.00
 026977,0.00010745,-0.00000148,-0.00001024,0.00001627,0.00001320,0.0000
 9313,-0.00025681,-0.00015241,0.00005254,0.00656437,-0.00616936,0.00346
 310,-0.01918012,0.01926574,-0.00857196,0.18158143,0.00027981,-0.000184
 94,-0.00024971,-0.00084584,-0.00010587,-0.00089196,-0.00031993,0.00031
 796,-0.00064623,-0.00023344,-0.00014111,0.00006609,0.00007984,0.000055
 73,-0.00015051,0.11985548,-0.16340876,0.05344332,0.00025779,0.00016934
 ,0.00020432,0.00018198,0.00018392,0.00003666,0.00005519,0.00008563,-0.
 00003751,-0.00033526,0.00073668,0.00033265,0.00000095,-0.00000059,0.00
 003921,0.00003669,0.00013400,0.00025652,-0.00061984,0.00043671,-0.0000
 1050,0.02045687,-0.01952642,0.00867121,-0.00629010,0.00631486,-0.00363
 501,-0.13196020,0.17461929,-0.00129409,0.00034027,0.00141479,-0.023460
 14,0.02326962,-0.01157481,0.00052063,-0.00147149,-0.00686476,0.0017290
 9,0.00049820,-0.00104506,-0.00027571,0.00003250,0.00063455,-0.05260837
 ,0.05202291,-0.06844257,0.00050583,-0.00043378,0.00035578,-0.00037004,
 -0.00041040,0.00018809,-0.00145707,0.00117310,-0.00076295,-0.00013618,
 -0.00042926,0.00154301,-0.00004432,0.00001041,-0.00000607,-0.00001872,
 0.00002321,0.00021726,-0.00017045,0.00023129,0.00004505,0.00876484,-0.
 00720748,0.00306654,0.00807419,-0.00940177,0.00357022,0.05925458,-0.05
 760700,0.07748702,-0.05933384,-0.05481378,-0.01540725,-0.00865559,-0.0
 2992493,-0.00825169,0.00072635,-0.00185033,-0.00063069,0.00000648,-0.0
 0078176,-0.00029449,0.00005478,0.00028222,0.00013089,0.00099659,0.0002
 3963,-0.00145501,0.00021974,0.00062512,0.00038360,0.00001081,0.0007573
 9,0.00014627,-0.00009479,0.00013415,-0.00004147,-0.00512269,-0.0010408
 6,0.00282276,0.00001777,0.00001718,-0.00000132,0.00041248,0.00022378,-
 0.00006432,-0.00020803,0.00000241,0.00010171,0.00037479,0.00036925,0.0
 0069556,0.00003093,0.00033692,-0.00012757,-0.00001627,0.00011839,0.000
 09912,0.06560632,-0.05793377,-0.27906426,-0.06483198,-0.00401726,-0.00
 861272,-0.00214198,0.00042834,-0.00080346,0.00026983,0.00017631,-0.000
 20093,-0.00043099,-0.00015384,0.00011204,0.00023084,0.00040306,0.00034
 217,-0.00041660,0.00190114,-0.00009074,-0.00022919,-0.00023254,0.00007
 941,0.00008690,-0.00001386,-0.00005328,0.00002558,-0.00119045,0.000934
 90,0.00111757,0.00001863,0.00000139,-0.00001446,-0.00002859,0.00013842
 ,0.00008250,0.00007063,-0.00000325,-0.00003081,-0.00010337,0.00024411,
 0.00068817,0.00008362,0.00030812,0.00010589,-0.00004171,-0.00008031,-0
 .00002969,0.06451885,0.30386746,-0.01650296,-0.06495334,-0.06687233,0.
 00243784,0.01311997,0.00285731,-0.00055634,-0.00077431,0.00018013,-0.0
 0003436,0.00019040,0.00005617,-0.00000038,0.00000291,-0.00004798,-0.00
 022628,0.00114299,0.00130251,0.00060120,0.00012172,-0.00054640,0.00007
 472,-0.00010051,0.00001694,0.00003003,-0.00014900,-0.00004353,0.002535
 74,0.00080513,-0.00037925,-0.00000282,-0.00000092,0.00002388,-0.000224
 93,-0.00007393,0.00001307,0.00035449,0.00002713,0.00001147,0.00003656,
 -0.00034736,-0.00010288,-0.00016760,-0.00025471,0.00007922,0.00002765,
 0.00002055,-0.00004422,0.01526637,0.07093553,0.06874982,-0.17778749,0.
 11407777,-0.06111315,-0.02179833,0.01872135,-0.00976676,-0.00516060,-0
 .00330588,0.00246299,0.00049128,0.00246674,-0.00115813,-0.00078875,-0.
 00022071,0.00066918,0.00104783,0.00073942,-0.00134985,0.00066407,-0.00
 010205,-0.00004531,-0.00041976,-0.00085489,0.00011471,0.00038132,-0.00
 036663,0.00027815,0.00092711,-0.00030040,-0.00059647,-0.00003312,-0.00
 002349,0.00012451,-0.00001658,0.00001678,0.00006990,-0.00008811,0.0000
 6207,-0.00004345,-0.00001432,-0.00000582,0.00011105,0.00037284,-0.0003
 7879,-0.00014505,0.00037161,-0.00044027,0.00089884,0.00603602,-0.00428
 564,0.00367360,0.19637926,0.11545557,-0.14665939,0.05332151,-0.0077913
 9,0.00538279,-0.00300313,-0.00245068,-0.00075374,0.00043154,-0.0003734
 2,0.00051060,-0.00031199,-0.00001649,0.00000765,0.00011140,-0.00007270
 ,0.00019059,-0.00017595,0.00105059,0.00030058,-0.00006662,0.00008352,-
 0.00013675,0.00003832,-0.00004547,-0.00013199,0.00016047,0.00050069,0.
 00066058,-0.00049401,-0.00001780,0.00000112,0.00006969,0.00004360,0.00
 009238,-0.00000082,0.00006897,0.00001537,0.00003052,0.00013666,-0.0001
 4164,0.00005525,-0.00013921,0.00006234,-0.00027073,0.00006154,0.000256
 37,-0.00018716,0.02179833,-0.01713575,0.01123860,-0.12555780,0.1562837
 6,-0.06244659,0.05388674,-0.07627044,0.00906671,-0.00853552,0.00264550
 ,0.00253663,0.00043674,-0.00087519,-0.00002904,-0.00069606,0.00082875,
 0.00004393,0.00001650,-0.00020652,0.00053905,-0.00065593,0.00080211,0.
 00009417,0.00002254,0.00021638,0.00002680,0.00026422,-0.00003924,0.000
 19222,-0.00000021,0.00039513,-0.00068268,-0.00003915,0.00023595,-0.000
 02627,0.00004518,-0.00005517,0.00006443,0.00001662,-0.00004756,-0.0000
 0287,0.00000248,0.00004391,0.00000156,-0.00007340,-0.00005665,-0.00021
 237,-0.00004590,0.00019218,0.00014175,0.00024959,-0.00010638,0.0072681
 5,-0.00508777,0.00256368,0.06644964,-0.06031414,0.07951602,-0.04759729
 ,-0.00033514,-0.01002882,0.00029475,0.00274752,0.03032672,0.00149501,-
 0.00014507,0.00152015,0.00006922,-0.00023344,0.00010576,0.00031170,-0.
 00000054,-0.00024168,-0.00556815,-0.00150654,0.00132636,0.00000446,0.0
 0007964,-0.00034125,0.00014320,0.00001945,-0.00012265,-0.00037184,0.00
 025822,-0.00061390,0.00125871,0.00007255,-0.00064056,0.00005450,-0.000
 02107,0.00000808,-0.00002548,0.00005690,0.00001856,0.00006828,-0.00014
 262,-0.00000616,-0.00009813,0.00014598,-0.00015232,0.00015830,-0.00021
 701,0.00195940,0.00011118,-0.00027810,-0.00001202,-0.00106186,0.000400
 44,-0.00732252,-0.00056430,-0.00273451,-0.02302523,0.05131773,-0.00039
 371,-0.04824351,-0.01617140,0.00069465,-0.00094785,0.00970360,0.000327
 77,0.00031992,-0.00058335,0.00018031,0.00010694,0.00006126,0.00001402,
 -0.00004540,-0.00006918,-0.00188541,-0.00014005,0.00050080,0.00009222,
 -0.00026552,0.00055925,-0.00002812,-0.00013480,-0.00005842,0.00022966,
 0.00018841,-0.00009614,0.00058187,0.00018626,0.00023621,0.00000203,-0.
 00000513,0.00000047,0.00017270,0.00004886,-0.00005905,-0.00021730,-0.0
 0005332,0.00002243,-0.00001729,0.00023402,0.00035604,-0.00018779,0.000
 48576,0.00066312,-0.00014525,0.00013750,-0.00042347,-0.00101195,0.0000
 1667,-0.03095086,-0.00024175,0.00119514,0.02050748,0.00183334,0.046916
 08,-0.00769148,-0.01531911,-0.30458220,-0.00141109,-0.00061440,-0.0129
 9184,-0.00086200,-0.00005538,0.00013864,0.00006980,-0.00002630,0.00025
 400,-0.00018844,-0.00000691,0.00016918,0.00356556,0.00118216,0.0004447
 0,0.00024379,-0.00028365,0.00034585,0.00005213,0.00007221,0.00012344,0
 .00058733,-0.00034302,0.00067232,0.00003750,0.00045662,0.00058270,-0.0
 0007194,0.00005321,-0.00003224,0.00019578,0.00002361,-0.00008639,-0.00
 024768,0.00012049,0.00001846,-0.00013648,0.00000361,0.00034282,0.00000
 340,-0.00001060,-0.00095597,-0.00011325,-0.00009170,0.00032451,-0.0006
 4060,-0.00032934,-0.00781761,-0.00063441,-0.00063273,-0.00978246,0.007
 24207,0.01580122,0.33283210\\0.00000435,0.00000078,-0.00000612,-0.0000
 0114,0.00000359,0.00001085,-0.00000565,-0.00000393,0.00000390,0.000003
 12,0.00000946,-0.00000217,0.00000123,-0.00000138,0.00000105,0.00000148
 ,-0.00000548,-0.00000813,0.00000352,0.00000249,-0.00000903,-0.00000237
 ,-0.00000295,-0.00000334,0.00000339,0.00000092,0.00000022,-0.00000036,
 0.00000038,-0.00000272,-0.00000253,-0.00000281,0.00000050,-0.00000510,
 0.00000161,0.00000484,0.00000313,-0.00000117,0.00000524,0.00000071,-0.
 00000092,0.00000163,-0.00000064,0.00000052,0.00000180,-0.00000088,-0.0
 0000128,-0.00000026,-0.00000189,0.00000115,0.00000199,0.00000050,0.000
 00213,-0.00000064,-0.00000087,-0.00000310,0.00000037\\\@


 EXPERIMENTALISTS THINK SILICON IS REALLY FUN TO USE
     ITS PLACE IN NOVEL COMPOUNDS IS CERTAIN TO AMUSE
 THEY SIT ALL DAY IN LABORATORIES MAKING ALL THIS SLUDGE
     "LOADED WITH THE SILICON THEY SAY", TO ME IT LOOKS LIKE FUDGE.
 FOR HAPPY THOUGH THEY BE WITH CRUD, I'D LIKE TO KNOW A LITTLE
      ABOUT THE PI BONDS ON THE EDGE AND SIGMAS IN THE MIDDLE.

 SO LETS DERIVE A WAVEFUNCTION.....6-31G*
     USE AN OPTIMAL GEOMETRY AND SEE WHERE ELECTRONS ARE.
 BUT WHAT OF CORRELATION?  ASKS THE WIRY LITTLE SKEPTIC.
     WE'LL THROW IN PERTURBATION AS AN ELECTRON ANTISEPTIC.
 AND WHEN THE PROGRAM GIVES US ANSWERS IN THEM WE CAN TRUST
     SINCE NOBODY CAN MAKE THE STUFF, WE HAVE NO CHOICE, WE MUST.

 SO THEORY GUYS HAVE GOT IT MADE, IN ROOMS FREE OF POLLUTION.
     INSTEAD OF PROBLEMS WITH THE REFLUX, THEY HAVE ONLY SOLUTIONS.
 AND WHEN THE FEDS ANNOUNCE THE LIST OF CARCINOGENIC TERRORS,
     THE THEORISTS SIT SAFELY AT THEIR TERMINALS FIXING ERRORS.
 IN OTHER WORDS, EXPERIMENTALISTS WILL LIKELY DIE OF CANCER
     FROM WORKING HARD YET FRUITLESSLY...TILL THEORY GIVES THE ANSWER.
          -- THOMAS A. HOLME, 1983
 Job cpu time:       0 days  1 hours 32 minutes  8.9 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 33.5 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:39:06 2021.
